2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide

C16H18N4O — CID 109296133

IUPAC2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(NC(C)c2ccccc2)n1
InChIInChI=1S/C16H18N4O/c1-3-10-17-15(21)14-9-11-18-16(20-14)19-12(2)13-7-5-4-6-8-13/h3-9,11-12H,1,10H2,2H3,(H,17,21)(H,18,19,20)
InChIKeyCARNWQDQJBRMMR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.57
Rot. Bonds6

About 2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide

2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109296133) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109296133
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(NC(C)c2ccccc2)n1
InChIInChI=1S/C16H18N4O/c1-3-10-17-15(21)14-9-11-18-16(20-14)19-12(2)13-7-5-4-6-8-13/h3-9,11-12H,1,10H2,2H3,(H,17,21)(H,18,19,20)
InChIKeyCARNWQDQJBRMMR-UHFFFAOYSA-N
XLogP2.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.57
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

N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109299802
N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304745
N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295911
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304715
N-(2-morpholin-4-ylethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109301556
N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304746
N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304797
2-[benzyl(propan-2-yl)amino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296184
N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304794
N-(2-ethyl-6-methylphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304772
N-(3-methylbutyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295989
2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296281

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109296133) is 2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1ccnc(NC(C)c2ccccc2)n1.
What is the InChIKey of 2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is CARNWQDQJBRMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-10-17-15(21)14-9-11-18-16(20-14)19-12(2)13-7-5-4-6-8-13/h3-9,11-12H,1,10H2,2H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109296133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).