N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide

C16H18N4O — CID 109247874

IUPACN-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C16H18N4O/c1-3-9-17-16-18-10-14(11-19-16)15(21)20(2)12-13-7-5-4-6-8-13/h3-8,10-11H,1,9,12H2,2H3,(H,17,18,19)
InChIKeyHZBHYSNTXKGAEP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.35
Rot. Bonds6

About N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide

N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide (PubChem CID 109247874) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide
PubChem CID109247874
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C16H18N4O/c1-3-9-17-16-18-10-14(11-19-16)15(21)20(2)12-13-7-5-4-6-8-13/h3-8,10-11H,1,9,12H2,2H3,(H,17,18,19)
InChIKeyHZBHYSNTXKGAEP-UHFFFAOYSA-N
XLogP2.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246693
N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256679
N-benzyl-2-(2-fluoroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256680
N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide
CID 109256693
N-benzyl-2-(4-chloroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256684
N'-benzyl-N'-methyl-N-prop-2-enyloxamide
CID 108518780
N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide
CID 109256739
N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256687
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539
5-N-benzyl-5-N-methylpyridine-2,5-dicarboxamide
CID 47460377
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide (CID 109247874) is N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide is C=CCNc1ncc(C(=O)N(C)Cc2ccccc2)cn1.
What is the InChIKey of N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The InChIKey is HZBHYSNTXKGAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-9-17-16-18-10-14(11-19-16)15(21)20(2)12-13-7-5-4-6-8-13/h3-8,10-11H,1,9,12H2,2H3,(H,17,18,19).
What are the key properties of N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).