6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one

C9H13ClN2O2 — CID 114582088

IUPAC6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
SMILESCC(C)OCCn1cnc(Cl)cc1=O
InChIInChI=1S/C9H13ClN2O2/c1-7(2)14-4-3-12-6-11-8(10)5-9(12)13/h5-7H,3-4H2,1-2H3
InChIKeySXOBDWYCEBJPPL-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.32
Rot. Bonds4

About 6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one

6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one (PubChem CID 114582088) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
PubChem CID114582088
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
SMILESCC(C)OCCn1cnc(Cl)cc1=O
InChIInChI=1S/C9H13ClN2O2/c1-7(2)14-4-3-12-6-11-8(10)5-9(12)13/h5-7H,3-4H2,1-2H3
InChIKeySXOBDWYCEBJPPL-UHFFFAOYSA-N
XLogP1.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 2-(4-chloro-6-oxo-1,6-dihydropyrimidin-1-yl)acetate
CID 155821798
6-Chloro-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114581981
6-Chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114582422
2-Amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525153
6-Amino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525168
6-Chloro-3-(2-methoxyethyl)-4(3h)-pyrimidinone
CID 114582282
2,6-Dichloro-3-(1-methoxypropyl)pyrimidin-4-one
CID 118484035
Ethyl 2-(4-chloro-6-oxopyrimidin-1-yl)acetate
CID 149762014
6-Chloro-3-methyl-2-propan-2-yloxypyrimidin-4-one
CID 16102857
3-[2-(2-Chloroethoxy)ethyl]-6-methylpyrimidin-4-one
CID 63664787
3-[2-(2-Chloroethoxy)ethyl]pyrimidin-4-one
CID 63768651
6-Chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one
CID 103182124

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one (CID 114582088) is 6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one is CC(C)OCCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
The InChIKey is SXOBDWYCEBJPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-7(2)14-4-3-12-6-11-8(10)5-9(12)13/h5-7H,3-4H2,1-2H3.
What are the key properties of 6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one has a molecular weight of 216.67 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one is sourced from PubChem (CID 114582088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).