5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one

C10H12Cl2N2O2 — CID 114583260

IUPAC5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC1CCCCO1
InChIInChI=1S/C10H12Cl2N2O2/c11-8-9(12)13-6-14(10(8)15)5-7-3-1-2-4-16-7/h6-7H,1-5H2
InChIKeyZKPZQUXNTLVAOH-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.12
Rot. Bonds2

About 5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one

5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one (PubChem CID 114583260) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one
PubChem CID114583260
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC1CCCCO1
InChIInChI=1S/C10H12Cl2N2O2/c11-8-9(12)13-6-14(10(8)15)5-7-3-1-2-4-16-7/h6-7H,1-5H2
InChIKeyZKPZQUXNTLVAOH-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one (CID 114583260) is 5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CC1CCCCO1.
What is the InChIKey of 5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is ZKPZQUXNTLVAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c11-8-9(12)13-6-14(10(8)15)5-7-3-1-2-4-16-7/h6-7H,1-5H2.
What are the key properties of 5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one?
5,6-dichloro-3-(oxan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 263.12 g/mol, XLogP of 2.12, 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-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114583260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).