6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one

C10H13ClN2O2 — CID 114584537

IUPAC6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCCO
InChIInChI=1S/C10H13ClN2O2/c11-8-6-9(15)13(4-1-5-14)10(12-8)7-2-3-7/h6-7,14H,1-5H2
InChIKeyKCALHXAHYYPETA-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.16
Rot. Bonds4

About 6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one

6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one (PubChem CID 114584537) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one
PubChem CID114584537
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCCO
InChIInChI=1S/C10H13ClN2O2/c11-8-6-9(15)13(4-1-5-14)10(12-8)7-2-3-7/h6-7,14H,1-5H2
InChIKeyKCALHXAHYYPETA-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 114584547
6-Chloro-2-cyclopropyl-3-(2-fluoroethyl)pyrimidin-4-one
CID 114584708
6-Chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one
CID 114584763
6-Chloro-2-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411731
6-Chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706086
6-Chloro-3-(6-hydroxyhexyl)-2-propan-2-ylpyrimidin-4-one
CID 113991798
6-Chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581625
6-Chloro-3-(cyclopropylmethyl)-2-methylpyrimidin-4-one
CID 114581728
6-Chloro-3-(3-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581755
6-Chloro-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581785
6-Chloro-3-(3-hydroxy-2-methylpropyl)-2-methylpyrimidin-4-one
CID 114581806
6-Chloro-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 114582235

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one (CID 114584537) is 6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one is O=c1cc(Cl)nc(C2CC2)n1CCCO.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one?
The InChIKey is KCALHXAHYYPETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-8-6-9(15)13(4-1-5-14)10(12-8)7-2-3-7/h6-7,14H,1-5H2.
What are the key properties of 6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one has a molecular weight of 228.68 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114584537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).