N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide

C18H17N3O3 — CID 7747939

IUPACN-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCc1nc(-c2ccccc2)cc(=O)n1CC(=O)NCc1ccco1
InChIInChI=1S/C18H17N3O3/c1-13-20-16(14-6-3-2-4-7-14)10-18(23)21(13)12-17(22)19-11-15-8-5-9-24-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyYCALPCGDTUNXJN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.13
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide

N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide (PubChem CID 7747939) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
PubChem CID7747939
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCc1nc(-c2ccccc2)cc(=O)n1CC(=O)NCc1ccco1
InChIInChI=1S/C18H17N3O3/c1-13-20-16(14-6-3-2-4-7-14)10-18(23)21(13)12-17(22)19-11-15-8-5-9-24-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyYCALPCGDTUNXJN-UHFFFAOYSA-N
XLogP2.13
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 7747925
N-(furan-2-ylmethyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410275
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16956925
N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1263321
2-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 95857463
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079602
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884425
N-(furan-2-ylmethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 1140859

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide (CID 7747939) is N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide is Cc1nc(-c2ccccc2)cc(=O)n1CC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The InChIKey is YCALPCGDTUNXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-13-20-16(14-6-3-2-4-7-14)10-18(23)21(13)12-17(22)19-11-15-8-5-9-24-15/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide?
N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 7747939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).