4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one

C16H13ClN2O2 — CID 136770228

IUPAC4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cc3cccc(Cl)c3o2)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C16H13ClN2O2/c1-8-13(18-15(9-5-6-9)19-16(8)20)12-7-10-3-2-4-11(17)14(10)21-12/h2-4,7,9H,5-6H2,1H3,(H,18,19,20)
InChIKeyPENRMMYXDYZVRW-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.02
Rot. Bonds2

About 4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one

4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 136770228) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
PubChem CID136770228
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cc3cccc(Cl)c3o2)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C16H13ClN2O2/c1-8-13(18-15(9-5-6-9)19-16(8)20)12-7-10-3-2-4-11(17)14(10)21-12/h2-4,7,9H,5-6H2,1H3,(H,18,19,20)
InChIKeyPENRMMYXDYZVRW-UHFFFAOYSA-N
XLogP4.02
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidine-4-thione
CID 106521963
4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770216
2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692866
2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692169
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
CID 136692901
6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 114735030
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrimidin-2-one
CID 106521970
2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770157
2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136691781
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one
CID 106521969
4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770175

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one (CID 136770228) is 4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one is Cc1c(-c2cc3cccc(Cl)c3o2)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is PENRMMYXDYZVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-8-13(18-15(9-5-6-9)19-16(8)20)12-7-10-3-2-4-11(17)14(10)21-12/h2-4,7,9H,5-6H2,1H3,(H,18,19,20).
What are the key properties of 4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one?
4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 300.75 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).