2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide

C13H16N6O — CID 137253333

IUPAC2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn3c2NCCC3)nc(C)n1
InChIInChI=1S/C13H16N6O/c1-8-6-10(17-9(2)16-8)13(20)18-11-7-15-19-5-3-4-14-12(11)19/h6-7,14H,3-5H2,1-2H3,(H,18,20)
InChIKeyAYJHMQMEKGQJMO-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.36
Rot. Bonds2

About 2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide

2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide (PubChem CID 137253333) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide
PubChem CID137253333
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn3c2NCCC3)nc(C)n1
InChIInChI=1S/C13H16N6O/c1-8-6-10(17-9(2)16-8)13(20)18-11-7-15-19-5-3-4-14-12(11)19/h6-7,14H,3-5H2,1-2H3,(H,18,20)
InChIKeyAYJHMQMEKGQJMO-UHFFFAOYSA-N
XLogP1.36
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-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

5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide
CID 156586902
5-(2-methylpropyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2-oxazole-3-carboxamide
CID 137255522
5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide
CID 137255597
2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
CID 137255654
2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 165445223
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 137255532
2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide
CID 137313999
1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide
CID 137253316
2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 137255592
1-(6-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)urea
CID 166313179
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide (CID 137253333) is 2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cnn3c2NCCC3)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide?
The InChIKey is AYJHMQMEKGQJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-8-6-10(17-9(2)16-8)13(20)18-11-7-15-19-5-3-4-14-12(11)19/h6-7,14H,3-5H2,1-2H3,(H,18,20).
What are the key properties of 2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide?
2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 137253333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).