5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one

C9H14ClN3O2 — CID 136759216

IUPAC5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCO)c1Cl
InChIInChI=1S/C9H14ClN3O2/c10-7-8(12-6-13-9(7)15)11-4-2-1-3-5-14/h6,14H,1-5H2,(H2,11,12,13,15)
InChIKeyXHSVJGQHTOPVSJ-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.00
Rot. Bonds6

About 5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one

5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136759216) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
PubChem CID136759216
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCO)c1Cl
InChIInChI=1S/C9H14ClN3O2/c10-7-8(12-6-13-9(7)15)11-4-2-1-3-5-14/h6,14H,1-5H2,(H2,11,12,13,15)
InChIKeyXHSVJGQHTOPVSJ-UHFFFAOYSA-N
XLogP1.00
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-hydroxypentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136759217
4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759219
5-bromo-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759220
5-chloro-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766325
5-chloro-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772470
5-chloro-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786668
5-chloro-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857365
5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866833
5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136901130
5-chloro-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902428
5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973824
5-chloro-4-(3-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136976038

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one (CID 136759216) is 5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCCCO)c1Cl.
What is the InChIKey of 5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is XHSVJGQHTOPVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c10-7-8(12-6-13-9(7)15)11-4-2-1-3-5-14/h6,14H,1-5H2,(H2,11,12,13,15).
What are the key properties of 5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 231.68 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136759216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).