N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide

C17H15N3O4 — CID 135964557

IUPACN-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide
SMILESCOc1ccc(CN(C=O)c2c(-c3ccco3)nc[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O4/c1-23-13-6-4-12(5-7-13)9-20(11-21)16-15(14-3-2-8-24-14)18-10-19-17(16)22/h2-8,10-11H,9H2,1H3,(H,18,19,22)
InChIKeyGAOZRTWYCMDPKO-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.20
Rot. Bonds6

About N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide

N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide (PubChem CID 135964557) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide
PubChem CID135964557
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide
SMILESCOc1ccc(CN(C=O)c2c(-c3ccco3)nc[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O4/c1-23-13-6-4-12(5-7-13)9-20(11-21)16-15(14-3-2-8-24-14)18-10-19-17(16)22/h2-8,10-11H,9H2,1H3,(H,18,19,22)
InChIKeyGAOZRTWYCMDPKO-UHFFFAOYSA-N
XLogP2.20
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide?
The IUPAC name of N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide (CID 135964557) is N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide.
What is the SMILES notation for N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide?
The canonical SMILES for N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide is COc1ccc(CN(C=O)c2c(-c3ccco3)nc[nH]c2=O)cc1.
What is the InChIKey of N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide?
The InChIKey is GAOZRTWYCMDPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-13-6-4-12(5-7-13)9-20(11-21)16-15(14-3-2-8-24-14)18-10-19-17(16)22/h2-8,10-11H,9H2,1H3,(H,18,19,22).
What are the key properties of N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide?
N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide has a molecular weight of 325.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide is sourced from PubChem (CID 135964557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).