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

C12H13N3O3 — CID 45496929

IUPACN-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2ccco2)cn1
InChIInChI=1S/C12H13N3O3/c1-9-5-12(17)15(8-14-9)7-11(16)13-6-10-3-2-4-18-10/h2-5,8H,6-7H2,1H3,(H,13,16)
InChIKeyUVCPRUXRZQUIGV-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.46
Rot. Bonds4

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

N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 45496929) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID45496929
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2ccco2)cn1
InChIInChI=1S/C12H13N3O3/c1-9-5-12(17)15(8-14-9)7-11(16)13-6-10-3-2-4-18-10/h2-5,8H,6-7H2,1H3,(H,13,16)
InChIKeyUVCPRUXRZQUIGV-UHFFFAOYSA-N
XLogP0.46
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 53023985
N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide
CID 676921
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16956925
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261950
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 121064050
N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7518792
N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227332
2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(furan-2-ylmethyl)acetamide
CID 46395088
N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928856
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165926
N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747939
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 121090531

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 45496929) is N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)NCc2ccco2)cn1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is UVCPRUXRZQUIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-9-5-12(17)15(8-14-9)7-11(16)13-6-10-3-2-4-18-10/h2-5,8H,6-7H2,1H3,(H,13,16).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 247.25 g/mol, XLogP of 0.46, 4 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-(4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 45496929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).