N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide

C18H25N9O — CID 169102407

IUPACN-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCCCC[C@](C)(CNC(=O)c1ncn(C)n1)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C18H25N9O/c1-4-5-8-18(2,10-21-16(28)15-22-11-27(3)26-15)25-14-13-12(7-6-9-20-13)23-17(19)24-14/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,21,28)(H3,19,23,24,25)/t18-/m1/s1
InChIKeyNJUQZSJCKYGKDT-GOSISDBHSA-N
MW383.46 g/mol
LogP1.53
Rot. Bonds8

About N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide

N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 169102407) has the molecular formula C18H25N9O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID169102407
Molecular FormulaC18H25N9O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC NameN-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCCCC[C@](C)(CNC(=O)c1ncn(C)n1)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C18H25N9O/c1-4-5-8-18(2,10-21-16(28)15-22-11-27(3)26-15)25-14-13-12(7-6-9-20-13)23-17(19)24-14/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,21,28)(H3,19,23,24,25)/t18-/m1/s1
InChIKeyNJUQZSJCKYGKDT-GOSISDBHSA-N
XLogP1.53
TPSA136.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide 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

N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 122599112
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptyl]acetamide
CID 122585361
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide
CID 175478859
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentyl]acetamide
CID 134319396
4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598680
(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide
CID 162475052
4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598693
N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305634
[2-[(5-amino-[1,2]thiazolo[4,3-d]pyrimidin-7-yl)amino]-2-methylhexyl]urea
CID 163430886
N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305672
4-[[(2R)-1-acetamido-2-methylhexan-2-yl]amino]-2-amino-N-phenylpyrido[3,2-d]pyrimidine-7-carboxamide
CID 166010281
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide (CID 169102407) is N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide is CCCC[C@](C)(CNC(=O)c1ncn(C)n1)Nc1nc(N)nc2cccnc12.
What is the InChIKey of N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is NJUQZSJCKYGKDT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N9O/c1-4-5-8-18(2,10-21-16(28)15-22-11-27(3)26-15)25-14-13-12(7-6-9-20-13)23-17(19)24-14/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,21,28)(H3,19,23,24,25)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide?
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 169102407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).