2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one

C11H19N3O2 — CID 136759221

IUPAC2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCCO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-2-9-13-10(8-11(16)14-9)12-6-4-3-5-7-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyCZPYKKFMVJDFEW-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.91
Rot. Bonds7

About 2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one

2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136759221) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
PubChem CID136759221
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCCO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-2-9-13-10(8-11(16)14-9)12-6-4-3-5-7-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyCZPYKKFMVJDFEW-UHFFFAOYSA-N
XLogP0.91
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.91
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

2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
2-ethyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703839
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136759213
4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136759214
2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759218
4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759219
2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766320
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one (CID 136759221) is 2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one is CCc1nc(NCCCCCO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is CZPYKKFMVJDFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-9-13-10(8-11(16)14-9)12-6-4-3-5-7-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16).
What are the key properties of 2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136759221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).