6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C9H13ClN2O2 — CID 5282566

IUPAC6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C9H13ClN2O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4,6H,5H2,1-3H3
InChIKeyNSZSICWLXFCCRN-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.86
Rot. Bonds2

About 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 5282566) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID5282566
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C9H13ClN2O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4,6H,5H2,1-3H3
InChIKeyNSZSICWLXFCCRN-UHFFFAOYSA-N
XLogP0.86
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 5282566) is 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(Cl)cc(=O)n(C)c1=O.
What is the InChIKey of 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is NSZSICWLXFCCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4,6H,5H2,1-3H3.
What are the key properties of 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 216.67 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 5282566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).