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

C9H12Cl2N2O2 — CID 114583119

IUPAC5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCCCCO
InChIInChI=1S/C9H12Cl2N2O2/c10-7-8(11)12-6-13(9(7)15)4-2-1-3-5-14/h6,14H,1-5H2
InChIKeyDXDYKRUKOVRVNM-UHFFFAOYSA-N
MW251.11 g/mol
LogP1.71
Rot. Bonds5

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

5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one (PubChem CID 114583119) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
PubChem CID114583119
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCCCCO
InChIInChI=1S/C9H12Cl2N2O2/c10-7-8(11)12-6-13(9(7)15)4-2-1-3-5-14/h6,14H,1-5H2
InChIKeyDXDYKRUKOVRVNM-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 51.71
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

4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114583147
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114583185
5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
CID 114583146
6-chloro-3-(4-hydroxybutyl)pyrimidin-4-one
CID 114582214
5,6-dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583232
5,6-dichloro-3-pent-3-ynylpyrimidin-4-one
CID 114583206
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075
5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
CID 114583127
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
5-amino-6-chloro-3-dodecylpyrimidin-4-one
CID 114582630
5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one
CID 114582975

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one (CID 114583119) is 5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCCCCO.
What is the InChIKey of 5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one?
The InChIKey is DXDYKRUKOVRVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2/c10-7-8(11)12-6-13(9(7)15)4-2-1-3-5-14/h6,14H,1-5H2.
What are the key properties of 5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one?
5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one has a molecular weight of 251.11 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one is sourced from PubChem (CID 114583119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).