3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one

C15H13ClN2O2 — CID 53004401

IUPAC3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(Cc3ccccc3Cl)c(=O)c2c1C
InChIInChI=1S/C15H13ClN2O2/c1-9-10(2)20-14-13(9)15(19)18(8-17-14)7-11-5-3-4-6-12(11)16/h3-6,8H,7H2,1-2H3
InChIKeyUMCNNUDXEZASNY-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.31
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one

3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one (PubChem CID 53004401) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one
PubChem CID53004401
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(Cc3ccccc3Cl)c(=O)c2c1C
InChIInChI=1S/C15H13ClN2O2/c1-9-10(2)20-14-13(9)15(19)18(8-17-14)7-11-5-3-4-6-12(11)16/h3-6,8H,7H2,1-2H3
InChIKeyUMCNNUDXEZASNY-UHFFFAOYSA-N
XLogP3.31
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Dimethyl-4-oxo-N-(1-phenylethyl)-3H,4H-furo[2,3-D]pyrimidine-5-carboxamide
CID 16023684
N-{3-[Benzyl(propan-2-YL)amino]propyl}-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-D]pyrimidine-5-carboxamide
CID 16023844
6-Methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-D]pyrimidine-5-carboxamide
CID 16023812
N-[(4-Chlorophenyl)methyl]-3,6-dimethyl-4-oxo-3H,4H-furo[2,3-D]pyrimidine-5-carboxamide
CID 16023630
N-benzyl-3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide
CID 16023688
N-{3-[Benzyl(methyl)amino]propyl}-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-D]pyrimidine-5-carboxamide
CID 16023730
6-Methyl-N-(2-methylphenyl)-3-(2-methylpropyl)-4-oxo-N-propyl-3H,4H-furo[2,3-D]pyrimidine-5-carboxamide
CID 16023752
N-Benzyl-6-methyl-3-(2-methylpropyl)-4-oxo-N-(propan-2-YL)-3H,4H-furo[2,3-D]pyrimidine-5-carboxamide
CID 16023814
N-{3-[Benzyl(butyl)amino]propyl}-6-methyl-4-oxo-3H,4H-furo[2,3-D]pyrimidine-5-carboxamide
CID 15987612
N-[2-(4-Chlorophenyl)ethyl]-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-D]pyrimidine-5-carboxamide
CID 16023760
N-[(4-ethylphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 16023782
N-[(3-Chlorophenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-D]pyrimidine-5-carboxamide
CID 16023790

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one (CID 53004401) is 3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one is Cc1oc2ncn(Cc3ccccc3Cl)c(=O)c2c1C.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one?
The InChIKey is UMCNNUDXEZASNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-9-10(2)20-14-13(9)15(19)18(8-17-14)7-11-5-3-4-6-12(11)16/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one?
3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one has a molecular weight of 288.73 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53004401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).