N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide

C9H11N3O — CID 114618776

IUPACN-(2-methylprop-2-enyl)pyrimidine-2-carboxamide
SMILESC=C(C)CNC(=O)c1ncccn1
InChIInChI=1S/C9H11N3O/c1-7(2)6-12-9(13)8-10-4-3-5-11-8/h3-5H,1,6H2,2H3,(H,12,13)
InChIKeyHABZNLKQSOFNIM-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.78
Rot. Bonds3

About N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide

N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide (PubChem CID 114618776) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)pyrimidine-2-carboxamide
PubChem CID114618776
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-(2-methylprop-2-enyl)pyrimidine-2-carboxamide
SMILESC=C(C)CNC(=O)c1ncccn1
InChIInChI=1S/C9H11N3O/c1-7(2)6-12-9(13)8-10-4-3-5-11-8/h3-5H,1,6H2,2H3,(H,12,13)
InChIKeyHABZNLKQSOFNIM-UHFFFAOYSA-N
XLogP0.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 114617075
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
3-(pyrimidine-2-carbonylamino)propanoic acid
CID 115730014
N-[(E)-but-2-enyl]pyrimidine-2-carboxamide;ethane
CID 178010523
4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114616643
2-methylprop-2-enylurea
CID 22226516
5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide
CID 130778441
3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114618286
N-(2-methylprop-2-enyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114618480
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide (CID 114618776) is N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide is C=C(C)CNC(=O)c1ncccn1.
What is the InChIKey of N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide?
The InChIKey is HABZNLKQSOFNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(2)6-12-9(13)8-10-4-3-5-11-8/h3-5H,1,6H2,2H3,(H,12,13).
What are the key properties of N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide?
N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 114618776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).