6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one

C9H14ClN3O2 — CID 114585412

IUPAC6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(CCN(C)C)c1=O
InChIInChI=1S/C9H14ClN3O2/c1-12(2)4-5-13-6-11-8(10)7(15-3)9(13)14/h6H,4-5H2,1-3H3
InChIKeyARYUMDAKSUFRCI-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.47
Rot. Bonds4

About 6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one

6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one (PubChem CID 114585412) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
PubChem CID114585412
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(CCN(C)C)c1=O
InChIInChI=1S/C9H14ClN3O2/c1-12(2)4-5-13-6-11-8(10)7(15-3)9(13)14/h6H,4-5H2,1-3H3
InChIKeyARYUMDAKSUFRCI-UHFFFAOYSA-N
XLogP0.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-butyl-6-chloro-5-methoxypyrimidin-4-one
CID 114585317
6-chloro-3-[2-(dimethylamino)ethyl]-5-iodopyrimidin-4-one
CID 114584064
6-chloro-3-hexyl-5-methoxypyrimidin-4-one
CID 114585335
6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114585109
6-chloro-5-methoxy-3-prop-2-enylpyrimidin-4-one
CID 114585117
6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585475
4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114585353
6-chloro-5-methoxy-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
CID 107052078
6-chloro-5-methoxy-3-[2-(4-nitrophenyl)ethyl]pyrimidin-4-one
CID 114585486
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-6-chloro-5-methoxypyrimidin-4-one
CID 114585298
6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one
CID 114585245
6-chloro-5-methoxy-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 114585157

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one (CID 114585412) is 6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one is COc1c(Cl)ncn(CCN(C)C)c1=O.
What is the InChIKey of 6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one?
The InChIKey is ARYUMDAKSUFRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-12(2)4-5-13-6-11-8(10)7(15-3)9(13)14/h6H,4-5H2,1-3H3.
What are the key properties of 6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one?
6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one has a molecular weight of 231.68 g/mol, XLogP of 0.47, 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-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).