6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one

C15H15ClN2O2 — CID 114585203

IUPAC6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(Cc2ccc3c(c2)CCC3)c1=O
InChIInChI=1S/C15H15ClN2O2/c1-20-13-14(16)17-9-18(15(13)19)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,9H,2-4,8H2,1H3
InChIKeySWTYHCIJQQGACS-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.44
Rot. Bonds3

About 6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one

6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one (PubChem CID 114585203) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one
PubChem CID114585203
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(Cc2ccc3c(c2)CCC3)c1=O
InChIInChI=1S/C15H15ClN2O2/c1-20-13-14(16)17-9-18(15(13)19)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,9H,2-4,8H2,1H3
InChIKeySWTYHCIJQQGACS-UHFFFAOYSA-N
XLogP2.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585475
3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one
CID 167915221
6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one
CID 114585245
5,6-dichloro-3-[(3,4-dimethoxyphenyl)methyl]pyrimidin-4-one
CID 114583279
6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585464
3-butyl-6-chloro-5-methoxypyrimidin-4-one
CID 114585317
6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
CID 114585412
6-chloro-5-methoxy-3-prop-2-enylpyrimidin-4-one
CID 114585117
6-chloro-3-[(1-ethylimidazol-2-yl)methyl]-5-methoxypyrimidin-4-one
CID 114585107
6-chloro-3-[(2-chloro-4-nitrophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585239
6-chloro-5-methoxy-3-[2-(4-nitrophenyl)ethyl]pyrimidin-4-one
CID 114585486
6-chloro-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-iodopyrimidin-4-one
CID 114584029

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one (CID 114585203) is 6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one is COc1c(Cl)ncn(Cc2ccc3c(c2)CCC3)c1=O.
What is the InChIKey of 6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one?
The InChIKey is SWTYHCIJQQGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-13-14(16)17-9-18(15(13)19)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one?
6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one has a molecular weight of 290.75 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).