6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one

C9H13ClN2O3 — CID 114585204

IUPAC6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one
SMILESCOCC(C)n1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C9H13ClN2O3/c1-6(4-14-2)12-5-11-8(10)7(15-3)9(12)13/h5-6H,4H2,1-3H3
InChIKeySMAXMVZMFXIIGD-UHFFFAOYSA-N
MW232.67 g/mol
LogP1.11
Rot. Bonds4

About 6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one

6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one (PubChem CID 114585204) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one
PubChem CID114585204
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one
SMILESCOCC(C)n1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C9H13ClN2O3/c1-6(4-14-2)12-5-11-8(10)7(15-3)9(12)13/h5-6H,4H2,1-3H3
InChIKeySMAXMVZMFXIIGD-UHFFFAOYSA-N
XLogP1.11
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one (CID 114585204) is 6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one is COCC(C)n1cnc(Cl)c(OC)c1=O.
What is the InChIKey of 6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The InChIKey is SMAXMVZMFXIIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3/c1-6(4-14-2)12-5-11-8(10)7(15-3)9(12)13/h5-6H,4H2,1-3H3.
What are the key properties of 6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one has a molecular weight of 232.67 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-3-(1-methoxypropan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 114585204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).