2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide

C15H18N4O2 — CID 109295051

IUPAC2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C15H18N4O2/c1-3-8-16-14(20)13-7-9-17-15(19-13)18-11-5-4-6-12(10-11)21-2/h4-7,9-10H,3,8H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyALRIEJFYKOCKLN-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.37
Rot. Bonds6

About 2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide

2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109295051) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109295051
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C15H18N4O2/c1-3-8-16-14(20)13-7-9-17-15(19-13)18-11-5-4-6-12(10-11)21-2/h4-7,9-10H,3,8H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyALRIEJFYKOCKLN-UHFFFAOYSA-N
XLogP2.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide
CID 143493343
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295101
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039
2-N-(3-methoxyphenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077744
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300300
N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109313154

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide (CID 109295051) is 2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1ccnc(Nc2cccc(OC)c2)n1.
What is the InChIKey of 2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is ALRIEJFYKOCKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-8-16-14(20)13-7-9-17-15(19-13)18-11-5-4-6-12(10-11)21-2/h4-7,9-10H,3,8H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).