N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide

C11H11N3O3 — CID 676921

IUPACN-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(=O)n(CNC(=O)c2ccco2)cn1
InChIInChI=1S/C11H11N3O3/c1-8-5-10(15)14(6-12-8)7-13-11(16)9-3-2-4-17-9/h2-6H,7H2,1H3,(H,13,16)
InChIKeyIXESNXSLVPABRF-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.53
Rot. Bonds3

About N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide

N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide (PubChem CID 676921) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide
PubChem CID676921
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(=O)n(CNC(=O)c2ccco2)cn1
InChIInChI=1S/C11H11N3O3/c1-8-5-10(15)14(6-12-8)7-13-11(16)9-3-2-4-17-9/h2-6H,7H2,1H3,(H,13,16)
InChIKeyIXESNXSLVPABRF-UHFFFAOYSA-N
XLogP0.53
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide
CID 121059019
5-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121119296
(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide
CID 86263711
3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 55237816
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(1,2-oxazol-3-yl)acetamide
CID 121064043
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 39228693
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
CID 121119194

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide (CID 676921) is N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide is Cc1cc(=O)n(CNC(=O)c2ccco2)cn1.
What is the InChIKey of N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is IXESNXSLVPABRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-8-5-10(15)14(6-12-8)7-13-11(16)9-3-2-4-17-9/h2-6H,7H2,1H3,(H,13,16).
What are the key properties of N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide?
N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 676921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).