6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one

C8H11ClN2O2 — CID 114581625

IUPAC6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCCO
InChIInChI=1S/C8H11ClN2O2/c1-6-10-7(9)5-8(13)11(6)3-2-4-12/h5,12H,2-4H2,1H3
InChIKeySZJDKJVAJMKWPA-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.59
Rot. Bonds3

About 6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one

6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one (PubChem CID 114581625) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one
PubChem CID114581625
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCCO
InChIInChI=1S/C8H11ClN2O2/c1-6-10-7(9)5-8(13)11(6)3-2-4-12/h5,12H,2-4H2,1H3
InChIKeySZJDKJVAJMKWPA-UHFFFAOYSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 114581643
Actinium;6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 23518642
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
2,6-Dichloro-3-(3-methoxypropyl)-4(3h)-pyrimidinone
CID 118483138
2-(2-Hydroxyethyl)-3,6-dimethylpyrimidin-4-one
CID 158591974
6-Amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 23518643
3-(3-Hydroxypropyl)-2,6-dimethylpyrimidin-4-one
CID 63769735
6-Chloro-3-[3-(2-methoxyethoxy)propyl]-2-methylpyrimidin-4-one
CID 103411723
6-Chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one
CID 107706068
6-Chloro-2-ethyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706084
6-Chloro-2-ethyl-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 113813156
6-Chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one
CID 114581600

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one (CID 114581625) is 6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCCO.
What is the InChIKey of 6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one?
The InChIKey is SZJDKJVAJMKWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-6-10-7(9)5-8(13)11(6)3-2-4-12/h5,12H,2-4H2,1H3.
What are the key properties of 6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one?
6-chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one has a molecular weight of 202.64 g/mol, XLogP of 0.59, 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)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).