(2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride

C58H63Cl3N20O4 — CID 158686870

IUPAC(2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride
SMILESCC(C)[C@@H](N)C(N)=O.CC(C)[C@@H](Nc1ncc(C#N)c(Cc2ccc3cccnc3c2)n1)C(N)=O.CC(C)[C@@H](Nc1ncc(C(N)=O)c(Nc2ccc3cccnc3c2)n1)C(N)=O.Cl.N#Cc1cnc(Cl)nc1Cl.Nc1ccc2cccnc2c1
InChIInChI=1S/C20H20N6O.C19H21N7O2.C9H8N2.C5HCl2N3.C5H12N2O.ClH/c1-12(2)18(19(22)27)26-20-24-11-15(10-21)17(25-20)9-13-5-6-14-4-3-7-23-16(14)8-13;1-10(2)15(17(21)28)25-19-23-9-13(16(20)27)18(26-19)24-12-6-5-11-4-3-7-22-14(11)8-12;10-8-4-3-7-2-1-5-11-9(7)6-8;6-4-3(1-8)2-9-5(7)10-4;1-3(2)4(6)5(7)8;/h3-8,11-12,18H,9H2,1-2H3,(H2,22,27)(H,24,25,26);3-10,15H,1-2H3,(H2,20,27)(H2,21,28)(H2,23,24,25,26);1-6H,10H2;2H;3-4H,6H2,1-2H3,(H2,7,8);1H/t18-;15-;;;4-;/m11..1./s1
InChIKeyPWJJQIBQZDJJRB-UFEUOJMZSA-N
MW1210.64 g/mol
LogP7.55
Rot. Bonds15

About (2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride

(2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride (PubChem CID 158686870) has the molecular formula C58H63Cl3N20O4 and a molecular weight of 1210.64 g/mol. Its IUPAC name is (2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride
PubChem CID158686870
Molecular FormulaC58H63Cl3N20O4
Molecular Weight1210.64 g/mol
Exact Mass1208.44
IUPAC Name(2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride
SMILESCC(C)[C@@H](N)C(N)=O.CC(C)[C@@H](Nc1ncc(C#N)c(Cc2ccc3cccnc3c2)n1)C(N)=O.CC(C)[C@@H](Nc1ncc(C(N)=O)c(Nc2ccc3cccnc3c2)n1)C(N)=O.Cl.N#Cc1cnc(Cl)nc1Cl.Nc1ccc2cccnc2c1
InChIInChI=1S/C20H20N6O.C19H21N7O2.C9H8N2.C5HCl2N3.C5H12N2O.ClH/c1-12(2)18(19(22)27)26-20-24-11-15(10-21)17(25-20)9-13-5-6-14-4-3-7-23-16(14)8-13;1-10(2)15(17(21)28)25-19-23-9-13(16(20)27)18(26-19)24-12-6-5-11-4-3-7-22-14(11)8-12;10-8-4-3-7-2-1-5-11-9(7)6-8;6-4-3(1-8)2-9-5(7)10-4;1-3(2)4(6)5(7)8;/h3-8,11-12,18H,9H2,1-2H3,(H2,22,27)(H,24,25,26);3-10,15H,1-2H3,(H2,20,27)(H2,21,28)(H2,23,24,25,26);1-6H,10H2;2H;3-4H,6H2,1-2H3,(H2,7,8);1H/t18-;15-;;;4-;/m11..1./s1
InChIKeyPWJJQIBQZDJJRB-UFEUOJMZSA-N
XLogP7.55
TPSA424.08 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001210.64
LogP ≤ 57.55
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride 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

(1-amino-1-oxobutan-2-yl)-[5-carbamoyl-4-(quinolin-7-ylamino)pyrimidin-2-yl]-dimethylazanium
CID 123760565
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 46185385
2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(3-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 67477032
3-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-(quinolin-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 72705614
2-[[5-cyano-4-methoxy-6-(quinolin-6-ylamino)pyrimidin-2-yl]amino]-3-methylbutanamide
CID 77405098
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-(1,3-benzothiazol-6-ylamino)pyrimidine-5-carboxamide
CID 67003038
2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 143890450
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 59199677
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(3,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 59199511
2-[(5-amino-4-methylpentan-2-yl)amino]-4-(3-pyrimidin-2-ylanilino)pyrimidine-5-carboxamide
CID 67184553
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 57480312
2-amino-4-[[4-[[5-cyano-4-(3,3-dimethylbutan-2-ylamino)pyrimidin-2-yl]amino]-3,3-dimethylbutan-2-yl]amino]pyrimidine-5-carboxamide
CID 134417380

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride?
The IUPAC name of (2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride (CID 158686870) is (2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride is CC(C)[C@@H](N)C(N)=O.CC(C)[C@@H](Nc1ncc(C#N)c(Cc2ccc3cccnc3c2)n1)C(N)=O.CC(C)[C@@H](Nc1ncc(C(N)=O)c(Nc2ccc3cccnc3c2)n1)C(N)=O.Cl.N#Cc1cnc(Cl)nc1Cl.Nc1ccc2cccnc2c1.
What is the InChIKey of (2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride?
The InChIKey is PWJJQIBQZDJJRB-UFEUOJMZSA-N. The full InChI is InChI=1S/C20H20N6O.C19H21N7O2.C9H8N2.C5HCl2N3.C5H12N2O.ClH/c1-12(2)18(19(22)27)26-20-24-11-15(10-21)17(25-20)9-13-5-6-14-4-3-7-23-16(14)8-13;1-10(2)15(17(21)28)25-19-23-9-13(16(20)27)18(26-19)24-12-6-5-11-4-3-7-22-14(11)8-12;10-8-4-3-7-2-1-5-11-9(7)6-8;6-4-3(1-8)2-9-5(7)10-4;1-3(2)4(6)5(7)8;/h3-8,11-12,18H,9H2,1-2H3,(H2,22,27)(H,24,25,26);3-10,15H,1-2H3,(H2,20,27)(H2,21,28)(H2,23,24,25,26);1-6H,10H2;2H;3-4H,6H2,1-2H3,(H2,7,8);1H/t18-;15-;;;4-;/m11..1./s1.
What are the key properties of (2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride?
(2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride has a molecular weight of 1210.64 g/mol, XLogP of 7.55, 15 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methylbutanamide;2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(quinolin-7-ylamino)pyrimidine-5-carboxamide;(2R)-2-[[5-cyano-4-(quinolin-7-ylmethyl)pyrimidin-2-yl]amino]-3-methylbutanamide;2,4-dichloropyrimidine-5-carbonitrile;quinolin-7-amine;hydrochloride is sourced from PubChem (CID 158686870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).