6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one

C15H15ClN2O3 — CID 114585245

IUPAC6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(CCc2ccc3c(c2)CCO3)c1=O
InChIInChI=1S/C15H15ClN2O3/c1-20-13-14(16)17-9-18(15(13)19)6-4-10-2-3-12-11(8-10)5-7-21-12/h2-3,8-9H,4-7H2,1H3
InChIKeyBVXNNDQSRHUBQH-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.08
Rot. Bonds4

About 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one

6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one (PubChem CID 114585245) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one
PubChem CID114585245
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(CCc2ccc3c(c2)CCO3)c1=O
InChIInChI=1S/C15H15ClN2O3/c1-20-13-14(16)17-9-18(15(13)19)6-4-10-2-3-12-11(8-10)5-7-21-12/h2-3,8-9H,4-7H2,1H3
InChIKeyBVXNNDQSRHUBQH-UHFFFAOYSA-N
XLogP2.08
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5,6-dimethylpyrimidin-4-one
CID 146130232
5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one
CID 66311095
6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one
CID 114585203
5-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrimidine-2,4-dione
CID 66424176
6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
CID 114585412
6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one
CID 114581740
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole
CID 86792227
6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114585109
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
CID 65446900
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodo-4-methylpyrazole
CID 79787089
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole
CID 116620301
3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943655

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one (CID 114585245) is 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one is COc1c(Cl)ncn(CCc2ccc3c(c2)CCO3)c1=O.
What is the InChIKey of 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one?
The InChIKey is BVXNNDQSRHUBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-13-14(16)17-9-18(15(13)19)6-4-10-2-3-12-11(8-10)5-7-21-12/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one?
6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one has a molecular weight of 306.75 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).