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

C9H11ClN2O2 — CID 114584517

IUPAC6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCO
InChIInChI=1S/C9H11ClN2O2/c10-7-5-8(14)12(3-4-13)9(11-7)6-1-2-6/h5-6,13H,1-4H2
InChIKeyVJCVQVMDOPRLPI-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.77
Rot. Bonds3

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

6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one (PubChem CID 114584517) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one
PubChem CID114584517
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCO
InChIInChI=1S/C9H11ClN2O2/c10-7-5-8(14)12(3-4-13)9(11-7)6-1-2-6/h5-6,13H,1-4H2
InChIKeyVJCVQVMDOPRLPI-UHFFFAOYSA-N
XLogP0.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114584783
6-Chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114584793
6-Chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182144
6-Chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455830
6-Chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455831
6-Chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706086
6-Chloro-2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 113604540
6-Chloro-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one
CID 113604552
6-Chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one
CID 114581600
6-Chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one (CID 114584517) is 6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one is O=c1cc(Cl)nc(C2CC2)n1CCO.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one?
The InChIKey is VJCVQVMDOPRLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-7-5-8(14)12(3-4-13)9(11-7)6-1-2-6/h5-6,13H,1-4H2.
What are the key properties of 6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one has a molecular weight of 214.65 g/mol, XLogP of 0.77, 3 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-(2-hydroxyethyl)pyrimidin-4-one is sourced from PubChem (CID 114584517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).