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

C7H9ClN2O2 — CID 114582052

IUPAC6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCCO
InChIInChI=1S/C7H9ClN2O2/c8-6-4-7(12)10(5-9-6)2-1-3-11/h4-5,11H,1-3H2
InChIKeyKBDPNWKHJGIFLK-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.28
Rot. Bonds3

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

6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one (PubChem CID 114582052) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
PubChem CID114582052
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCCO
InChIInChI=1S/C7H9ClN2O2/c8-6-4-7(12)10(5-9-6)2-1-3-11/h4-5,11H,1-3H2
InChIKeyKBDPNWKHJGIFLK-UHFFFAOYSA-N
XLogP0.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro-3-(3-hydroxypropyl)pyrimidin-4-one
CID 172299276
2,6-Dichloro-3-(3-methoxypropyl)-4(3h)-pyrimidinone
CID 118483138
3-(3-Hydroxypropyl)-3,4-dihydropyrimidin-4-one
CID 63769899
6-Chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706071
6-Chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581625
6-Chloro-3-(3-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581755
6-Chloro-3-(3-hydroxy-2-methylpropyl)-2-methylpyrimidin-4-one
CID 114581806
6-Chloro-3-(2-hydroxyethyl)pyrimidin-4-one
CID 114582028
6-Chloro-3-(2-hydroxypropyl)pyrimidin-4-one
CID 114582111
6-Chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 114582154
6-Chloro-3-(3-methoxypropyl)pyrimidin-4-one
CID 114582155
6-Chloro-3-(3-hydroxybutyl)pyrimidin-4-one
CID 114582184

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one (CID 114582052) is 6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CCCO.
What is the InChIKey of 6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
The InChIKey is KBDPNWKHJGIFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c8-6-4-7(12)10(5-9-6)2-1-3-11/h4-5,11H,1-3H2.
What are the key properties of 6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one has a molecular weight of 188.61 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114582052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).