N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide

C18H16N4O3 — CID 109255161

IUPACN-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(NCc3ccco3)nc2)cc1
InChIInChI=1S/C18H16N4O3/c1-12(23)13-4-6-15(7-5-13)22-17(24)14-9-19-18(20-10-14)21-11-16-3-2-8-25-16/h2-10H,11H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyIHAONRTXBOKGCI-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.14
Rot. Bonds6

About N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide

N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109255161) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109255161
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(NCc3ccco3)nc2)cc1
InChIInChI=1S/C18H16N4O3/c1-12(23)13-4-6-15(7-5-13)22-17(24)14-9-19-18(20-10-14)21-11-16-3-2-8-25-16/h2-10H,11H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyIHAONRTXBOKGCI-UHFFFAOYSA-N
XLogP3.14
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254991
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209563
4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085243
N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255149
2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085109
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 29367485
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255128
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119
N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253599

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109255161) is N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide is CC(=O)c1ccc(NC(=O)c2cnc(NCc3ccco3)nc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is IHAONRTXBOKGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12(23)13-4-6-15(7-5-13)22-17(24)14-9-19-18(20-10-14)21-11-16-3-2-8-25-16/h2-10H,11H2,1H3,(H,22,24)(H,19,20,21).
What are the key properties of N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).