5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one

C10H12Cl2N2O2 — CID 114582938

IUPAC5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC1CCOCC1
InChIInChI=1S/C10H12Cl2N2O2/c11-8-9(12)13-6-14(10(8)15)5-7-1-3-16-4-2-7/h6-7H,1-5H2
InChIKeyYVWAIRNKFPIRJB-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.98
Rot. Bonds2

About 5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one

5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one (PubChem CID 114582938) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
PubChem CID114582938
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC1CCOCC1
InChIInChI=1S/C10H12Cl2N2O2/c11-8-9(12)13-6-14(10(8)15)5-7-1-3-16-4-2-7/h6-7H,1-5H2
InChIKeyYVWAIRNKFPIRJB-UHFFFAOYSA-N
XLogP1.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137208
6-Chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 114582071
5-Amino-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 114582510
5,6-Dichloro-3-(4-methoxybutyl)pyrimidin-4-one
CID 114583036
5,6-Dichloro-3-(oxan-4-yl)pyrimidin-4-one
CID 114583116
5,6-Dichloro-3-(oxolan-3-ylmethyl)pyrimidin-4-one
CID 114583148
5-Bromo-6-chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 114583366
6-Chloro-5-iodo-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 114583793
5-chloro-4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137009662

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one (CID 114582938) is 5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CC1CCOCC1.
What is the InChIKey of 5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one?
The InChIKey is YVWAIRNKFPIRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c11-8-9(12)13-6-14(10(8)15)5-7-1-3-16-4-2-7/h6-7H,1-5H2.
What are the key properties of 5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one?
5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one has a molecular weight of 263.12 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(oxan-4-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114582938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).