6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one

C15H14Cl2N2O2 — CID 114584694

IUPAC6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one
SMILESCOc1ccc(Cl)cc1Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C15H14Cl2N2O2/c1-21-12-5-4-11(16)6-10(12)8-19-14(20)7-13(17)18-15(19)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyXNCKBJKSXFLCGS-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.48
Rot. Bonds4

About 6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one

6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one (PubChem CID 114584694) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one
PubChem CID114584694
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one
SMILESCOc1ccc(Cl)cc1Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C15H14Cl2N2O2/c1-21-12-5-4-11(16)6-10(12)8-19-14(20)7-13(17)18-15(19)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyXNCKBJKSXFLCGS-UHFFFAOYSA-N
XLogP3.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-propan-2-ylpyrimidin-4-one
CID 114584989
6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one
CID 114584517
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
(4R)-1-(5-chloro-2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387084
3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 82160149
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
3-bromo-8-[(5-chloro-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 80669272
1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione
CID 64878924
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110767238
1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one
CID 113226508

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one (CID 114584694) is 6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one is COc1ccc(Cl)cc1Cn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one?
The InChIKey is XNCKBJKSXFLCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-21-12-5-4-11(16)6-10(12)8-19-14(20)7-13(17)18-15(19)9-2-3-9/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one?
6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one has a molecular weight of 325.20 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 114584694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).