5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one

C10H14Cl2N2O2 — CID 107706077

IUPAC5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCCCCCO
InChIInChI=1S/C10H14Cl2N2O2/c11-8-9(12)13-7-14(10(8)16)5-3-1-2-4-6-15/h7,15H,1-6H2
InChIKeyUVEXLQAWDMXESJ-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.10
Rot. Bonds6

About 5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one

5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one (PubChem CID 107706077) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one
PubChem CID107706077
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCCCCCO
InChIInChI=1S/C10H14Cl2N2O2/c11-8-9(12)13-7-14(10(8)16)5-3-1-2-4-6-15/h7,15H,1-6H2
InChIKeyUVEXLQAWDMXESJ-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.10
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)pyrimidin-4-one
CID 107706071
5-Bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706078
6-Chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one
CID 107706081
6-Chloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114582253
5,6-Dichloro-3-(3-hydroxypropyl)pyrimidin-4-one
CID 114582921
5,6-Dichloro-3-(3-hydroxybutyl)pyrimidin-4-one
CID 114583052
5,6-Dichloro-3-(4-hydroxybutyl)pyrimidin-4-one
CID 114583080
5,6-Dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114583119
6-Chloro-3-(5-hydroxypentyl)-5-iodopyrimidin-4-one
CID 114583974

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one (CID 107706077) is 5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCCCCCO.
What is the InChIKey of 5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
The InChIKey is UVEXLQAWDMXESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c11-8-9(12)13-7-14(10(8)16)5-3-1-2-4-6-15/h7,15H,1-6H2.
What are the key properties of 5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one has a molecular weight of 265.14 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one is sourced from PubChem (CID 107706077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).