N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide

C16H18N4O3 — CID 109339549

IUPACN-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2cc(OC)ccc2OC)ncn1
InChIInChI=1S/C16H18N4O3/c1-4-7-17-15-9-13(18-10-19-15)16(21)20-12-8-11(22-2)5-6-14(12)23-3/h4-6,8-10H,1,7H2,2-3H3,(H,20,21)(H,17,18,19)
InChIKeyXITADQPEDIODHV-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.34
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109339549) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109339549
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2cc(OC)ccc2OC)ncn1
InChIInChI=1S/C16H18N4O3/c1-4-7-17-15-9-13(18-10-19-15)16(21)20-12-8-11(22-2)5-6-14(12)23-3/h4-6,8-10H,1,7H2,2-3H3,(H,20,21)(H,17,18,19)
InChIKeyXITADQPEDIODHV-UHFFFAOYSA-N
XLogP2.34
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343225
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109348556
N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344509
6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357381
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339467
N-(5-chloro-2-methoxyphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354452
N-(5-chloro-2-methoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110309
N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339512
N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339520
6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340512
6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109346555
N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339596

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109339549) is N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1cc(C(=O)Nc2cc(OC)ccc2OC)ncn1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is XITADQPEDIODHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-4-7-17-15-9-13(18-10-19-15)16(21)20-12-8-11(22-2)5-6-14(12)23-3/h4-6,8-10H,1,7H2,2-3H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).