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

C12H21N3O2 — CID 136759214

IUPAC4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCCCO)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-9(2)12-14-10(8-11(17)15-12)13-6-4-3-5-7-16/h8-9,16H,3-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyNCNAVLURVOHSLM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.47
Rot. Bonds7

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

4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136759214) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136759214
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCCCO)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-9(2)12-14-10(8-11(17)15-12)13-6-4-3-5-7-16/h8-9,16H,3-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyNCNAVLURVOHSLM-UHFFFAOYSA-N
XLogP1.47
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.47
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-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
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-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136758191
2-ethyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758192
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136758193
4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136759213

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136759214) is 4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCCCCO)cc(=O)[nH]1.
What is the InChIKey of 4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NCNAVLURVOHSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)12-14-10(8-11(17)15-12)13-6-4-3-5-7-16/h8-9,16H,3-7H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136759214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).