2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide

C15H17N7O — CID 163310649

IUPAC2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cccc3ncnn23)nc(N)n1
InChIInChI=1S/C15H17N7O/c1-9(2)11-6-12(21-15(16)20-11)14(23)17-7-10-4-3-5-13-18-8-19-22(10)13/h3-6,8-9H,7H2,1-2H3,(H,17,23)(H2,16,20,21)
InChIKeyORGNKZGQWMYBHB-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.15
Rot. Bonds4

About 2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide

2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 163310649) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide
PubChem CID163310649
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cccc3ncnn23)nc(N)n1
InChIInChI=1S/C15H17N7O/c1-9(2)11-6-12(21-15(16)20-11)14(23)17-7-10-4-3-5-13-18-8-19-22(10)13/h3-6,8-9H,7H2,1-2H3,(H,17,23)(H2,16,20,21)
InChIKeyORGNKZGQWMYBHB-UHFFFAOYSA-N
XLogP1.15
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131895381
5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 163315760
3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide
CID 163319479
2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 137214508
4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide
CID 163307452
2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide
CID 77092872
2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131925868
N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 72848065
2-[(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)amino]-2-(3-methylphenyl)acetic acid
CID 90650027
2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131946106
2-amino-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99992429
(1R,9S)-6-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-5-carboxamide
CID 172667935

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide (CID 163310649) is 2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide is CC(C)c1cc(C(=O)NCc2cccc3ncnn23)nc(N)n1.
What is the InChIKey of 2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is ORGNKZGQWMYBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-9(2)11-6-12(21-15(16)20-11)14(23)17-7-10-4-3-5-13-18-8-19-22(10)13/h3-6,8-9H,7H2,1-2H3,(H,17,23)(H2,16,20,21).
What are the key properties of 2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 163310649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).