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

C13H19ClN2O2 — CID 107706086

IUPAC6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCCCCCO
InChIInChI=1S/C13H19ClN2O2/c14-11-9-12(18)16(7-3-1-2-4-8-17)13(15-11)10-5-6-10/h9-10,17H,1-8H2
InChIKeyMEFPMBZHFHSSHR-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.33
Rot. Bonds7

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

6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one (PubChem CID 107706086) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one
PubChem CID107706086
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCCCCCO
InChIInChI=1S/C13H19ClN2O2/c14-11-9-12(18)16(7-3-1-2-4-8-17)13(15-11)10-5-6-10/h9-10,17H,1-8H2
InChIKeyMEFPMBZHFHSSHR-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one
CID 107706068
6-Chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706071
6-Chloro-2-ethyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706084
6-Chloro-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 113604569
6-Chloro-3-(6-hydroxyhexyl)-2-propan-2-ylpyrimidin-4-one
CID 113991798
6-Chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
6-Chloro-2-ethyl-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114584351
6-Chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one
CID 114584517
6-Chloro-2-cyclopropyl-3-(3-hydroxypropyl)pyrimidin-4-one
CID 114584537
6-Chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one
CID 114584621
6-Chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one
CID 114584640
6-Chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 114584656

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one (CID 107706086) is 6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one is O=c1cc(Cl)nc(C2CC2)n1CCCCCCO.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one?
The InChIKey is MEFPMBZHFHSSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c14-11-9-12(18)16(7-3-1-2-4-8-17)13(15-11)10-5-6-10/h9-10,17H,1-8H2.
What are the key properties of 6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one has a molecular weight of 270.76 g/mol, XLogP of 2.33, 7 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-(6-hydroxyhexyl)pyrimidin-4-one is sourced from PubChem (CID 107706086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).