6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide

C16H18N4O — CID 109339707

IUPAC6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(C)c(C)c2)ncn1
InChIInChI=1S/C16H18N4O/c1-4-7-17-16(21)14-9-15(19-10-18-14)20-13-6-5-11(2)12(3)8-13/h4-6,8-10H,1,7H2,2-3H3,(H,17,21)(H,18,19,20)
InChIKeyYJJIOXWRXNBAJC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.75
Rot. Bonds5

About 6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide

6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109339707) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109339707
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(C)c(C)c2)ncn1
InChIInChI=1S/C16H18N4O/c1-4-7-17-16(21)14-9-15(19-10-18-14)20-13-6-5-11(2)12(3)8-13/h4-6,8-10H,1,7H2,2-3H3,(H,17,21)(H,18,19,20)
InChIKeyYJJIOXWRXNBAJC-UHFFFAOYSA-N
XLogP2.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.75
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-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109339717
6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339744
6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346955
6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339784
6-(4-acetamidoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356977
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109352465
6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339796
6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339792
N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354751
6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356962
6-(3,4-difluoroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356996

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109339707) is 6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(Nc2ccc(C)c(C)c2)ncn1.
What is the InChIKey of 6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is YJJIOXWRXNBAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-7-17-16(21)14-9-15(19-10-18-14)20-13-6-5-11(2)12(3)8-13/h4-6,8-10H,1,7H2,2-3H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109339707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).