4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine

C89H114F3N29O4S3 — CID 167549844

IUPAC4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine
SMILESCSc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C15H17F3N4.C15H18N8.C15H20N4O2S.C15H20N4S.C15H20N4.C14H19N5O2S/c1-8(2)12-7-21-13(15(16,17)18)5-10(12)4-11-6-20-9(3)22-14(11)19;1-8(2)12-7-18-13(15-20-22-23-21-15)5-10(12)4-11-6-17-9(3)19-14(11)16;1-9(2)13-8-18-14(22(4,20)21)6-11(13)5-12-7-17-10(3)19-15(12)16;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;1-9(2)14-8-17-10(3)5-12(14)6-13-7-18-11(4)19-15(13)16;1-8(2)12-7-18-13(22(16,20)21)5-10(12)4-11-6-17-9(3)19-14(11)15/h5-8H,4H2,1-3H3,(H2,19,20,22);5-8,15H,4H2,1-3H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);5,7-9H,6H2,1-4H3,(H2,16,18,19);5-8H,4H2,1-3H3,(H2,15,17,19)(H2,16,20,21)
InChIKeyCGNAJZISGWMZCV-UHFFFAOYSA-N
MW1807.28 g/mol
LogP15.79
Rot. Bonds22

About 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine

4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 167549844) has the molecular formula C89H114F3N29O4S3 and a molecular weight of 1807.28 g/mol. Its IUPAC name is 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine
PubChem CID167549844
Molecular FormulaC89H114F3N29O4S3
Molecular Weight1807.28 g/mol
Exact Mass1805.87
IUPAC Name4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine
SMILESCSc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C15H17F3N4.C15H18N8.C15H20N4O2S.C15H20N4S.C15H20N4.C14H19N5O2S/c1-8(2)12-7-21-13(15(16,17)18)5-10(12)4-11-6-20-9(3)22-14(11)19;1-8(2)12-7-18-13(15-20-22-23-21-15)5-10(12)4-11-6-17-9(3)19-14(11)16;1-9(2)13-8-18-14(22(4,20)21)6-11(13)5-12-7-17-10(3)19-15(12)16;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;1-9(2)14-8-17-10(3)5-12(14)6-13-7-18-11(4)19-15(13)16;1-8(2)12-7-18-13(22(16,20)21)5-10(12)4-11-6-17-9(3)19-14(11)15/h5-8H,4H2,1-3H3,(H2,19,20,22);5-8,15H,4H2,1-3H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);5,7-9H,6H2,1-4H3,(H2,16,18,19);5-8H,4H2,1-3H3,(H2,15,17,19)(H2,16,20,21)
InChIKeyCGNAJZISGWMZCV-UHFFFAOYSA-N
XLogP15.79
TPSA531.88 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001807.28
LogP ≤ 515.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

US10450297, Example 25
CID 57584771
N-[[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiophene-2-sulfonamide
CID 40777002
4-(4-Methylsulfonylphenyl)-5-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 24959024
4-(4-Methylsulfonylphenyl)-5-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 24959027
N-(5-methylsulfonylpyridin-2-yl)-2-propyl-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-amine
CID 57561144
N-[6-methyl-3-[[[2-[(6-methylsulfonyl-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]ethanesulfonamide
CID 91297758
(1S,3R,4S)-3-fluoro-5-(5-fluoropyridin-2-yl)sulfonyl-4-methyl-N'-[[2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-3-yl]methyl]cycloheptane-1-carboximidamide
CID 142285299
(Z)-2-[amino(methyl)amino]-2-[1-(benzenesulfonyl)-3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-6-yl]ethenamine
CID 142624126
N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]imidazo[1,2-c]pyrimidin-8-amine
CID 144033927
N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]imidazo[1,2-a]pyrazin-8-amine
CID 144034086
N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 144034167
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;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine
CID 158129139

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?
The IUPAC name of 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine (CID 167549844) is 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine is CSc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1.
What is the InChIKey of 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?
The InChIKey is CGNAJZISGWMZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4.C15H18N8.C15H20N4O2S.C15H20N4S.C15H20N4.C14H19N5O2S/c1-8(2)12-7-21-13(15(16,17)18)5-10(12)4-11-6-20-9(3)22-14(11)19;1-8(2)12-7-18-13(15-20-22-23-21-15)5-10(12)4-11-6-17-9(3)19-14(11)16;1-9(2)13-8-18-14(22(4,20)21)6-11(13)5-12-7-17-10(3)19-15(12)16;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;1-9(2)14-8-17-10(3)5-12(14)6-13-7-18-11(4)19-15(13)16;1-8(2)12-7-18-13(22(16,20)21)5-10(12)4-11-6-17-9(3)19-14(11)15/h5-8H,4H2,1-3H3,(H2,19,20,22);5-8,15H,4H2,1-3H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);5,7-9H,6H2,1-4H3,(H2,16,18,19);5-8H,4H2,1-3H3,(H2,15,17,19)(H2,16,20,21).
What are the key properties of 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine?
4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 1807.28 g/mol, XLogP of 15.79, 22 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 167549844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).