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

C13H14ClN3O3 — CID 114581661

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)NCc1ccco1
InChIInChI=1S/C13H14ClN3O3/c1-8(13(19)15-7-10-4-3-5-20-10)17-9(2)16-11(14)6-12(17)18/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyQHZLNOYYAVWOMQ-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.68
Rot. Bonds4

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 114581661) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide
PubChem CID114581661
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)NCc1ccco1
InChIInChI=1S/C13H14ClN3O3/c1-8(13(19)15-7-10-4-3-5-20-10)17-9(2)16-11(14)6-12(17)18/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyQHZLNOYYAVWOMQ-UHFFFAOYSA-N
XLogP1.68
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412
(2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 97037081
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 2997808
(2S)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 2093980
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide
CID 106189742
2-[2-aminoethyl(methyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61348725
6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 114581847
(2R)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 1259182

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide (CID 114581661) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide is Cc1nc(Cl)cc(=O)n1C(C)C(=O)NCc1ccco1.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is QHZLNOYYAVWOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-8(13(19)15-7-10-4-3-5-20-10)17-9(2)16-11(14)6-12(17)18/h3-6,8H,7H2,1-2H3,(H,15,19).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 295.73 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 114581661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).