2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide

C12H18N4O — CID 109360374

IUPAC2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NC(C)C)nc(C)n1
InChIInChI=1S/C12H18N4O/c1-5-6-13-12(17)10-7-11(14-8(2)3)16-9(4)15-10/h5,7-8H,1,6H2,2-4H3,(H,13,17)(H,14,15,16)
InChIKeySVSYKLXMWHBPDP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.52
Rot. Bonds5

About 2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide

2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109360374) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109360374
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NC(C)C)nc(C)n1
InChIInChI=1S/C12H18N4O/c1-5-6-13-12(17)10-7-11(14-8(2)3)16-9(4)15-10/h5,7-8H,1,6H2,2-4H3,(H,13,17)(H,14,15,16)
InChIKeySVSYKLXMWHBPDP-UHFFFAOYSA-N
XLogP1.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361353
6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361367
2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361234
5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271353
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360404
6-(2-bromoanilino)-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361513
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109360410
2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361525
N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361162
2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109360374) is 2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(NC(C)C)nc(C)n1.
What is the InChIKey of 2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is SVSYKLXMWHBPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-5-6-13-12(17)10-7-11(14-8(2)3)16-9(4)15-10/h5,7-8H,1,6H2,2-4H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).