2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide

C16H18N4O3 — CID 109296243

IUPAC2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C16H18N4O3/c1-4-8-17-15(21)12-7-9-18-16(19-12)20-13-10-11(22-2)5-6-14(13)23-3/h4-7,9-10H,1,8H2,2-3H3,(H,17,21)(H,18,19,20)
InChIKeyXLZIPIWNYJJTNG-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.15
Rot. Bonds7

About 2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide

2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109296243) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109296243
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C16H18N4O3/c1-4-8-17-15(21)12-7-9-18-16(19-12)20-13-10-11(22-2)5-6-14(13)23-3/h4-7,9-10H,1,8H2,2-3H3,(H,17,21)(H,18,19,20)
InChIKeyXLZIPIWNYJJTNG-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
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

2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320356
2-(2,5-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306309
2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313029
N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109295850
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296281
N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318035
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480
2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309086
2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295047
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295911

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109296243) is 2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1ccnc(Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is XLZIPIWNYJJTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-4-8-17-15(21)12-7-9-18-16(19-12)20-13-10-11(22-2)5-6-14(13)23-3/h4-7,9-10H,1,8H2,2-3H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109296243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).