4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile

C88H73Cl5F6N32O4 — CID 158989986

IUPAC4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile
SMILESCCC[C@H](Nc1nc(C)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1.Cc1nc(N)c(C#N)c(N[C@@H](C)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cncc(F)c2C)n1.Cc1nc(N)c(C#N)c(N[C@@H](C)c2nc3cccc(Cl)c3c(=O)n2-c2cncc(C(F)(F)F)c2)n1.Cc1nc(N)c(C#N)c(N[C@@H](C)c2nc3cccc(Cl)c3c(=O)n2-c2cncc(F)c2C)n1
InChIInChI=1S/C22H22Cl2N8O.C22H16ClF3N8O.C22H17ClF2N8O.C22H18ClFN8O/c1-3-5-15(30-20-18(24)19(26)28-11(2)29-20)21-31-14-7-4-6-13(23)17(14)22(33)32(21)12-8-9-16(25)27-10-12;1-10(30-19-14(7-27)18(28)31-11(2)32-19)20-33-16-5-3-4-15(23)17(16)21(35)34(20)13-6-12(8-29-9-13)22(24,25)26;1-9-15(25)7-28-8-16(9)33-21(32-18-14(24)5-4-13(23)17(18)22(33)34)10(2)29-20-12(6-26)19(27)30-11(3)31-20;1-10-15(24)8-27-9-17(10)32-21(31-16-6-4-5-14(23)18(16)22(32)33)11(2)28-20-13(7-25)19(26)29-12(3)30-20/h4,6-10,15H,3,5H2,1-2H3,(H2,25,27)(H3,26,28,29,30);3-6,8-10H,1-2H3,(H3,28,30,31,32);4-5,7-8,10H,1-3H3,(H3,27,29,30,31);4-6,8-9,11H,1-3H3,(H3,26,28,29,30)/t15-;2*10-;11-/m0000/s1
InChIKeyJQAQHYMZLUPERB-XVVBRVEESA-N
MW1934.02 g/mol
LogP15.84
Rot. Bonds18

About 4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile

4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile (PubChem CID 158989986) has the molecular formula C88H73Cl5F6N32O4 and a molecular weight of 1934.02 g/mol. Its IUPAC name is 4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile
PubChem CID158989986
Molecular FormulaC88H73Cl5F6N32O4
Molecular Weight1934.02 g/mol
Exact Mass1930.48
IUPAC Name4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile
SMILESCCC[C@H](Nc1nc(C)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1.Cc1nc(N)c(C#N)c(N[C@@H](C)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cncc(F)c2C)n1.Cc1nc(N)c(C#N)c(N[C@@H](C)c2nc3cccc(Cl)c3c(=O)n2-c2cncc(C(F)(F)F)c2)n1.Cc1nc(N)c(C#N)c(N[C@@H](C)c2nc3cccc(Cl)c3c(=O)n2-c2cncc(F)c2C)n1
InChIInChI=1S/C22H22Cl2N8O.C22H16ClF3N8O.C22H17ClF2N8O.C22H18ClFN8O/c1-3-5-15(30-20-18(24)19(26)28-11(2)29-20)21-31-14-7-4-6-13(23)17(14)22(33)32(21)12-8-9-16(25)27-10-12;1-10(30-19-14(7-27)18(28)31-11(2)32-19)20-33-16-5-3-4-15(23)17(16)21(35)34(20)13-6-12(8-29-9-13)22(24,25)26;1-9-15(25)7-28-8-16(9)33-21(32-18-14(24)5-4-13(23)17(18)22(33)34)10(2)29-20-12(6-26)19(27)30-11(3)31-20;1-10-15(24)8-27-9-17(10)32-21(31-16-6-4-5-14(23)18(16)22(32)33)11(2)28-20-13(7-25)19(26)29-12(3)30-20/h4,6-10,15H,3,5H2,1-2H3,(H2,25,27)(H3,26,28,29,30);3-6,8-10H,1-2H3,(H3,28,30,31,32);4-5,7-8,10H,1-3H3,(H3,27,29,30,31);4-6,8-9,11H,1-3H3,(H3,26,28,29,30)/t15-;2*10-;11-/m0000/s1
InChIKeyJQAQHYMZLUPERB-XVVBRVEESA-N
XLogP15.84
TPSA543.83 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds18
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001934.02
LogP ≤ 515.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze 4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

Gs-9901
CID 86763204
2,4-Bis(Azanyl)-6-[[(1~{s})-1-[5-Chloranyl-3-(5-Fluoranyl-4-Methyl-Pyridin-3-Yl)-4-Oxidanylidene-Quinazolin-2-Yl]ethyl]amino]pyrimidine-5-Carbonitrile
CID 86762886
2,4-diamino-6-[[(1S)-1-(5-chloro-8-fluoro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]amino]pyrimidine-5-carbonitrile
CID 86762831
2,4-diamino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 86762834
2,4-diamino-6-[[(1S)-1-[5-chloro-3-(2-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 86762859
2,4-diamino-6-[[(1S)-1-[5-chloro-3-(4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 86762860
2,4-diamino-6-[[(S)-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-cyclopropylmethyl]amino]pyrimidine-5-carbonitrile
CID 86763196
2,4-diamino-6-[[(1S)-1-(5,8-dichloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 86763267
2,4-diamino-6-[[(1S)-1-(5-chloro-8-fluoro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 86763268
(S)-2,4-diamino-6-((1-(5-chloro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile
CID 117738603
PI3K|A/|A-IN-3
CID 164886637
(S)-2-amino-4-((1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile
CID 71269828

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile (CID 158989986) is 4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile is CCC[C@H](Nc1nc(C)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1.Cc1nc(N)c(C#N)c(N[C@@H](C)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cncc(F)c2C)n1.Cc1nc(N)c(C#N)c(N[C@@H](C)c2nc3cccc(Cl)c3c(=O)n2-c2cncc(C(F)(F)F)c2)n1.Cc1nc(N)c(C#N)c(N[C@@H](C)c2nc3cccc(Cl)c3c(=O)n2-c2cncc(F)c2C)n1.
What is the InChIKey of 4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile?
The InChIKey is JQAQHYMZLUPERB-XVVBRVEESA-N. The full InChI is InChI=1S/C22H22Cl2N8O.C22H16ClF3N8O.C22H17ClF2N8O.C22H18ClFN8O/c1-3-5-15(30-20-18(24)19(26)28-11(2)29-20)21-31-14-7-4-6-13(23)17(14)22(33)32(21)12-8-9-16(25)27-10-12;1-10(30-19-14(7-27)18(28)31-11(2)32-19)20-33-16-5-3-4-15(23)17(16)21(35)34(20)13-6-12(8-29-9-13)22(24,25)26;1-9-15(25)7-28-8-16(9)33-21(32-18-14(24)5-4-13(23)17(18)22(33)34)10(2)29-20-12(6-26)19(27)30-11(3)31-20;1-10-15(24)8-27-9-17(10)32-21(31-16-6-4-5-14(23)18(16)22(32)33)11(2)28-20-13(7-25)19(26)29-12(3)30-20/h4,6-10,15H,3,5H2,1-2H3,(H2,25,27)(H3,26,28,29,30);3-6,8-10H,1-2H3,(H3,28,30,31,32);4-5,7-8,10H,1-3H3,(H3,27,29,30,31);4-6,8-9,11H,1-3H3,(H3,26,28,29,30)/t15-;2*10-;11-/m0000/s1.
What are the key properties of 4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile?
4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile has a molecular weight of 1934.02 g/mol, XLogP of 15.84, 18 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1S)-1-[5-chloro-8-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[5-chloro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxoquinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile;2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]butyl]-3-(6-amino-3-pyridinyl)-5-chloroquinazolin-4-one;4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-2-yl]ethyl]amino]-2-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 158989986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).