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

C18H18N6O — CID 137313999

IUPAC2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cnn3c2NCCC3)c(-c2ccccc2)n1
InChIInChI=1S/C18H18N6O/c1-12-20-10-14(16(22-12)13-6-3-2-4-7-13)18(25)23-15-11-21-24-9-5-8-19-17(15)24/h2-4,6-7,10-11,19H,5,8-9H2,1H3,(H,23,25)
InChIKeyRLKQPHDZDQIXNU-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.72
Rot. Bonds3

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

2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide (PubChem CID 137313999) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide
PubChem CID137313999
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cnn3c2NCCC3)c(-c2ccccc2)n1
InChIInChI=1S/C18H18N6O/c1-12-20-10-14(16(22-12)13-6-3-2-4-7-13)18(25)23-15-11-21-24-9-5-8-19-17(15)24/h2-4,6-7,10-11,19H,5,8-9H2,1H3,(H,23,25)
InChIKeyRLKQPHDZDQIXNU-UHFFFAOYSA-N
XLogP2.72
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxy-2-methyl-4-pyridinyl)-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 157012325
2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 165445223
5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide
CID 156586902
N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 134701351
2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
CID 137255654
1-(6-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)urea
CID 166313179
5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide
CID 137255597
2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 137255592
1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide
CID 137253316
phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 135671358
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 137255532
5-(2-methylpropyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2-oxazole-3-carboxamide
CID 137255522

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide (CID 137313999) is 2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2cnn3c2NCCC3)c(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide?
The InChIKey is RLKQPHDZDQIXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-20-10-14(16(22-12)13-6-3-2-4-7-13)18(25)23-15-11-21-24-9-5-8-19-17(15)24/h2-4,6-7,10-11,19H,5,8-9H2,1H3,(H,23,25).
What are the key properties of 2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide?
2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 137313999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).