5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine

C105H129BrN30O11S9 — CID 161203655

IUPAC5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)nc1OC.CC#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)nc1OC.COc1ccc(Sc2cnc(C)nc2N)c(C(C)C)n1.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1Br.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1C#N.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1S(C)(=O)=O.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1S(N)(=O)=O
InChIInChI=1S/C17H20N4OS.C16H18N4OS.C15H17N5OS.C15H20N4O3S2.C14H17BrN4OS.C14H19N5O3S2.C14H18N4OS/c1-6-7-12-8-13(15(10(2)3)21-17(12)22-5)23-14-9-19-11(4)20-16(14)18;1-6-11-7-12(14(9(2)3)20-16(11)21-5)22-13-8-18-10(4)19-15(13)17;1-8(2)13-11(5-10(6-16)15(20-13)21-4)22-12-7-18-9(3)19-14(12)17;1-8(2)13-10(23-11-7-17-9(3)18-14(11)16)6-12(24(5,20)21)15(19-13)22-4;1-7(2)12-10(5-9(15)14(19-12)20-4)21-11-6-17-8(3)18-13(11)16;1-7(2)12-9(23-10-6-17-8(3)18-13(10)15)5-11(24(16,20)21)14(19-12)22-4;1-8(2)13-10(5-6-12(18-13)19-4)20-11-7-16-9(3)17-14(11)15/h8-10H,1-5H3,(H2,18,19,20);1,7-9H,2-5H3,(H2,17,18,19);5,7-8H,1-4H3,(H2,17,18,19);6-8H,1-5H3,(H2,16,17,18);5-7H,1-4H3,(H2,16,17,18);5-7H,1-4H3,(H2,15,17,18)(H2,16,20,21);5-8H,1-4H3,(H2,15,16,17)
InChIKeyUVHWPRFMBRHXFE-UHFFFAOYSA-N
MW2355.89 g/mol
LogP20.36
Rot. Bonds30

About 5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine

5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine (PubChem CID 161203655) has the molecular formula C105H129BrN30O11S9 and a molecular weight of 2355.89 g/mol. Its IUPAC name is 5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
PubChem CID161203655
Molecular FormulaC105H129BrN30O11S9
Molecular Weight2355.89 g/mol
Exact Mass2352.71
IUPAC Name5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)nc1OC.CC#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)nc1OC.COc1ccc(Sc2cnc(C)nc2N)c(C(C)C)n1.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1Br.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1C#N.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1S(C)(=O)=O.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1S(N)(=O)=O
InChIInChI=1S/C17H20N4OS.C16H18N4OS.C15H17N5OS.C15H20N4O3S2.C14H17BrN4OS.C14H19N5O3S2.C14H18N4OS/c1-6-7-12-8-13(15(10(2)3)21-17(12)22-5)23-14-9-19-11(4)20-16(14)18;1-6-11-7-12(14(9(2)3)20-16(11)21-5)22-13-8-18-10(4)19-15(13)17;1-8(2)13-11(5-10(6-16)15(20-13)21-4)22-12-7-18-9(3)19-14(12)17;1-8(2)13-10(23-11-7-17-9(3)18-14(11)16)6-12(24(5,20)21)15(19-13)22-4;1-7(2)12-10(5-9(15)14(19-12)20-4)21-11-6-17-8(3)18-13(11)16;1-7(2)12-9(23-10-6-17-8(3)18-13(10)15)5-11(24(16,20)21)14(19-12)22-4;1-8(2)13-10(5-6-12(18-13)19-4)20-11-7-16-9(3)17-14(11)15/h8-10H,1-5H3,(H2,18,19,20);1,7-9H,2-5H3,(H2,17,18,19);5,7-8H,1-4H3,(H2,17,18,19);6-8H,1-5H3,(H2,16,17,18);5-7H,1-4H3,(H2,16,17,18);5-7H,1-4H3,(H2,15,17,18)(H2,16,20,21);5-8H,1-4H3,(H2,15,16,17)
InChIKeyUVHWPRFMBRHXFE-UHFFFAOYSA-N
XLogP20.36
TPSA635.53 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds30
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002355.89
LogP ≤ 520.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-Amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
CID 160074973
5-(4-Amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
CID 162133021
Sodium;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]pyrimidine-2,4-diamine;methanesulfinate;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]pyrimidine-2,4-diamine
CID 157211708
5-[(5-Bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]pyrimidine-2,4-diamine;methane;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]pyrimidine-2,4-diamine;trimethyl(prop-1-ynyl)silane
CID 157800581
4-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 164955050
4-(4-Amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine
CID 165072222
4-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 167621206
4-(4-Amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine
CID 167638434
4-(4-Amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine
CID 167643046
4-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 167661675
4-(4-Amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
CID 167696957

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine (CID 161203655) is 5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine is C#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)nc1OC.CC#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)nc1OC.COc1ccc(Sc2cnc(C)nc2N)c(C(C)C)n1.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1Br.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1C#N.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1S(C)(=O)=O.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1S(N)(=O)=O.
What is the InChIKey of 5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The InChIKey is UVHWPRFMBRHXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS.C16H18N4OS.C15H17N5OS.C15H20N4O3S2.C14H17BrN4OS.C14H19N5O3S2.C14H18N4OS/c1-6-7-12-8-13(15(10(2)3)21-17(12)22-5)23-14-9-19-11(4)20-16(14)18;1-6-11-7-12(14(9(2)3)20-16(11)21-5)22-13-8-18-10(4)19-15(13)17;1-8(2)13-11(5-10(6-16)15(20-13)21-4)22-12-7-18-9(3)19-14(12)17;1-8(2)13-10(23-11-7-17-9(3)18-14(11)16)6-12(24(5,20)21)15(19-13)22-4;1-7(2)12-10(5-9(15)14(19-12)20-4)21-11-6-17-8(3)18-13(11)16;1-7(2)12-9(23-10-6-17-8(3)18-13(10)15)5-11(24(16,20)21)14(19-12)22-4;1-8(2)13-10(5-6-12(18-13)19-4)20-11-7-16-9(3)17-14(11)15/h8-10H,1-5H3,(H2,18,19,20);1,7-9H,2-5H3,(H2,17,18,19);5,7-8H,1-4H3,(H2,17,18,19);6-8H,1-5H3,(H2,16,17,18);5-7H,1-4H3,(H2,16,17,18);5-7H,1-4H3,(H2,15,17,18)(H2,16,20,21);5-8H,1-4H3,(H2,15,16,17).
What are the key properties of 5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine has a molecular weight of 2355.89 g/mol, XLogP of 20.36, 30 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-bromo-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-5-prop-1-ynyl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-2-propan-2-yl-3-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 161203655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).