6-methyl-N-propylpyrimidine-4-carboxamide

C9H13N3O — CID 110847771

IUPAC6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)ncn1
InChIInChI=1S/C9H13N3O/c1-3-4-10-9(13)8-5-7(2)11-6-12-8/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyOHGWQJMFTZRTHX-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.92
Rot. Bonds3

About 6-methyl-N-propylpyrimidine-4-carboxamide

6-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 110847771) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID110847771
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)ncn1
InChIInChI=1S/C9H13N3O/c1-3-4-10-9(13)8-5-7(2)11-6-12-8/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyOHGWQJMFTZRTHX-UHFFFAOYSA-N
XLogP0.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-N-propylpyrimidine-4-carboxamide
CID 121167565
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
CID 109338516
N-propylpyrimidine-4-carboxamide
CID 89156251
N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 110848002
N'-acetyl-6-methylpyrimidine-4-carbohydrazide
CID 142352273
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338601
6-methyl-N-propylpyridazine-3-carboxamide
CID 110705181
N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide
CID 136558778

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-propylpyrimidine-4-carboxamide (CID 110847771) is 6-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(C)ncn1.
What is the InChIKey of 6-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is OHGWQJMFTZRTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-4-10-9(13)8-5-7(2)11-6-12-8/h5-6H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 6-methyl-N-propylpyrimidine-4-carboxamide?
6-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 110847771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).