N-cyclopropyl-6-methylpyrimidine-4-carboxamide

C9H11N3O — CID 110848002

IUPACN-cyclopropyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CC2)ncn1
InChIInChI=1S/C9H11N3O/c1-6-4-8(11-5-10-6)9(13)12-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,12,13)
InChIKeyLFPDLGDSKRCJAV-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.68
Rot. Bonds2

About N-cyclopropyl-6-methylpyrimidine-4-carboxamide

N-cyclopropyl-6-methylpyrimidine-4-carboxamide (PubChem CID 110848002) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-cyclopropyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methylpyrimidine-4-carboxamide
PubChem CID110848002
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-cyclopropyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CC2)ncn1
InChIInChI=1S/C9H11N3O/c1-6-4-8(11-5-10-6)9(13)12-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,12,13)
InChIKeyLFPDLGDSKRCJAV-UHFFFAOYSA-N
XLogP0.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
6-methyl-N-propylpyrimidine-4-carboxamide
CID 110847771
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N'-acetyl-6-methylpyrimidine-4-carbohydrazide
CID 142352273
N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109339234
N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109339321
N-cyclopropyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109339394
methyl 4-[[6-(cyclopropylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109339364
N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109339389

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-methylpyrimidine-4-carboxamide (CID 110848002) is N-cyclopropyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is LFPDLGDSKRCJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-4-8(11-5-10-6)9(13)12-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,12,13).
What are the key properties of N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
N-cyclopropyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 110848002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).