2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C17H19N5O2 — CID 138004659

IUPAC2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ncc2c(n1)CCC(NC(=O)c1cc(=O)[nH]c(C3CC3)n1)C2
InChIInChI=1S/C17H19N5O2/c1-9-18-8-11-6-12(4-5-13(11)19-9)20-17(24)14-7-15(23)22-16(21-14)10-2-3-10/h7-8,10,12H,2-6H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyGLYPYKVZBZVTSZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.03
Rot. Bonds3

About 2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 138004659) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID138004659
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ncc2c(n1)CCC(NC(=O)c1cc(=O)[nH]c(C3CC3)n1)C2
InChIInChI=1S/C17H19N5O2/c1-9-18-8-11-6-12(4-5-13(11)19-9)20-17(24)14-7-15(23)22-16(21-14)10-2-3-10/h7-8,10,12H,2-6H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyGLYPYKVZBZVTSZ-UHFFFAOYSA-N
XLogP1.03
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 155963764
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide
CID 167885804
2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
CID 167759812
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide
CID 129417338
N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 146152825
1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-[(6S)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]urea
CID 129352921
1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]urea
CID 129352922
2-cyclopropyl-N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 154851326
2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869775
2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167945533

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 138004659) is 2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide is Cc1ncc2c(n1)CCC(NC(=O)c1cc(=O)[nH]c(C3CC3)n1)C2.
What is the InChIKey of 2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is GLYPYKVZBZVTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-9-18-8-11-6-12(4-5-13(11)19-9)20-17(24)14-7-15(23)22-16(21-14)10-2-3-10/h7-8,10,12H,2-6H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 138004659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).