4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine

C87H106BrN25O9S3 — CID 167708231

IUPAC4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
SMILESCCSc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.CCc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Oc2cnc(C)nc2N)c(Br)cn1.Cc1ncc(Oc2cc(C#CC(C)(C)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(N)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C18H22N4O2.C15H20N4S2.C15H20N4S.C14H17N5O2.C14H16N4O3.C11H11BrN4O2/c1-11(2)14-9-21-13(6-7-18(4,5)23)8-15(14)24-16-10-20-12(3)22-17(16)19;1-5-20-14-6-12(11(7-18-14)9(2)3)21-13-8-17-10(4)19-15(13)16;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-7(2)9-5-18-10(14(16)20)4-11(9)21-12-6-17-8(3)19-13(12)15;1-7(2)9-5-17-10(14(19)20)4-11(9)21-12-6-16-8(3)18-13(12)15;1-6-14-5-9(11(13)16-6)18-8-3-10(17-2)15-4-7(8)12/h8-11,23H,1-5H3,(H2,19,20,22);6-9H,5H2,1-4H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);4-7H,1-3H3,(H2,16,20)(H2,15,17,19);4-7H,1-3H3,(H,19,20)(H2,15,16,18);3-5H,1-2H3,(H2,13,14,16)
InChIKeyZKWDMPQELHXXPV-UHFFFAOYSA-N
MW1822.08 g/mol
LogP17.03
Rot. Bonds23

About 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine

4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine (PubChem CID 167708231) has the molecular formula C87H106BrN25O9S3 and a molecular weight of 1822.08 g/mol. Its IUPAC name is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
PubChem CID167708231
Molecular FormulaC87H106BrN25O9S3
Molecular Weight1822.08 g/mol
Exact Mass1819.70
IUPAC Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
SMILESCCSc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.CCc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Oc2cnc(C)nc2N)c(Br)cn1.Cc1ncc(Oc2cc(C#CC(C)(C)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(N)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C18H22N4O2.C15H20N4S2.C15H20N4S.C14H17N5O2.C14H16N4O3.C11H11BrN4O2/c1-11(2)14-9-21-13(6-7-18(4,5)23)8-15(14)24-16-10-20-12(3)22-17(16)19;1-5-20-14-6-12(11(7-18-14)9(2)3)21-13-8-17-10(4)19-15(13)16;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-7(2)9-5-18-10(14(16)20)4-11(9)21-12-6-17-8(3)19-13(12)15;1-7(2)9-5-17-10(14(19)20)4-11(9)21-12-6-16-8(3)18-13(12)15;1-6-14-5-9(11(13)16-6)18-8-3-10(17-2)15-4-7(8)12/h8-11,23H,1-5H3,(H2,19,20,22);6-9H,5H2,1-4H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);4-7H,1-3H3,(H2,16,20)(H2,15,17,19);4-7H,1-3H3,(H,19,20)(H2,15,16,18);3-5H,1-2H3,(H2,13,14,16)
InChIKeyZKWDMPQELHXXPV-UHFFFAOYSA-N
XLogP17.03
TPSA534.91 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001822.08
LogP ≤ 517.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine (CID 167708231) is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine is CCSc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.CCc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Oc2cnc(C)nc2N)c(Br)cn1.Cc1ncc(Oc2cc(C#CC(C)(C)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(N)=O)ncc2C(C)C)c(N)n1.
What is the InChIKey of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The InChIKey is ZKWDMPQELHXXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.C15H20N4S2.C15H20N4S.C14H17N5O2.C14H16N4O3.C11H11BrN4O2/c1-11(2)14-9-21-13(6-7-18(4,5)23)8-15(14)24-16-10-20-12(3)22-17(16)19;1-5-20-14-6-12(11(7-18-14)9(2)3)21-13-8-17-10(4)19-15(13)16;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-7(2)9-5-18-10(14(16)20)4-11(9)21-12-6-17-8(3)19-13(12)15;1-7(2)9-5-17-10(14(19)20)4-11(9)21-12-6-16-8(3)18-13(12)15;1-6-14-5-9(11(13)16-6)18-8-3-10(17-2)15-4-7(8)12/h8-11,23H,1-5H3,(H2,19,20,22);6-9H,5H2,1-4H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);4-7H,1-3H3,(H2,16,20)(H2,15,17,19);4-7H,1-3H3,(H,19,20)(H2,15,16,18);3-5H,1-2H3,(H2,13,14,16).
What are the key properties of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine has a molecular weight of 1822.08 g/mol, XLogP of 17.03, 23 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 167708231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).