6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one

C10H13ClN2O2 — CID 114582299

IUPAC6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCC1CCCO1
InChIInChI=1S/C10H13ClN2O2/c11-9-6-10(14)13(7-12-9)4-3-8-2-1-5-15-8/h6-8H,1-5H2
InChIKeyKAWPTNJQQJIWGH-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.47
Rot. Bonds3

About 6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one

6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one (PubChem CID 114582299) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
PubChem CID114582299
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCC1CCCO1
InChIInChI=1S/C10H13ClN2O2/c11-9-6-10(14)13(7-12-9)4-3-8-2-1-5-15-8/h6-8H,1-5H2
InChIKeyKAWPTNJQQJIWGH-UHFFFAOYSA-N
XLogP1.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529
6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one
CID 114582159
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 166647748
1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one
CID 116625132
5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 80501981
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114582023
5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 80648817
N-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567497
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 79356056
2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole
CID 56865531

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one (CID 114582299) is 6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one is O=c1cc(Cl)ncn1CCC1CCCO1.
What is the InChIKey of 6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is KAWPTNJQQJIWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-9-6-10(14)13(7-12-9)4-3-8-2-1-5-15-8/h6-8H,1-5H2.
What are the key properties of 6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 228.68 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).