5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one

C10H14Cl2N2O — CID 130519559

IUPAC5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one
SMILESCC(C)CC(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O/c1-6(2)4-7(3)14-5-13-9(12)8(11)10(14)15/h5-7H,4H2,1-3H3
InChIKeyMQOFKJGZZJDYTJ-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.16
Rot. Bonds3

About 5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one

5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one (PubChem CID 130519559) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one
PubChem CID130519559
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one
SMILESCC(C)CC(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O/c1-6(2)4-7(3)14-5-13-9(12)8(11)10(14)15/h5-7H,4H2,1-3H3
InChIKeyMQOFKJGZZJDYTJ-UHFFFAOYSA-N
XLogP3.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanenitrile
CID 114583067
5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one
CID 130551563
5,6-dichloro-3-(2-methylpentyl)pyrimidin-4-one
CID 114582971
5-bromo-6-chloro-3-propan-2-ylpyrimidin-4-one
CID 114583536
5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
CID 114583146
5,6-dichloro-3-pent-3-ynylpyrimidin-4-one
CID 114583206
5,6-dichloro-3-prop-2-ynylpyrimidin-4-one
CID 114583014
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114585324
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583580
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 114583240
5,6-dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one (CID 130519559) is 5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one is CC(C)CC(C)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one?
The InChIKey is MQOFKJGZZJDYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-6(2)4-7(3)14-5-13-9(12)8(11)10(14)15/h5-7H,4H2,1-3H3.
What are the key properties of 5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one?
5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one has a molecular weight of 249.14 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 130519559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).