2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one

C12H21N3O2 — CID 136766320

IUPAC2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CCCCCO)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-3-10-13-11(9-12(17)14-10)15(2)7-5-4-6-8-16/h9,16H,3-8H2,1-2H3,(H,13,14,17)
InChIKeyXRNWLCRZRANJAZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.93
Rot. Bonds7

About 2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136766320) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136766320
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CCCCCO)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-3-10-13-11(9-12(17)14-10)15(2)7-5-4-6-8-16/h9,16H,3-8H2,1-2H3,(H,13,14,17)
InChIKeyXRNWLCRZRANJAZ-UHFFFAOYSA-N
XLogP0.93
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide
CID 100978307
6-Chloro-2-ethyl-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114584351
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
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
4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136759214
2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759218
2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759221
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one (CID 136766320) is 2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one is CCc1nc(N(C)CCCCCO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XRNWLCRZRANJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-10-13-11(9-12(17)14-10)15(2)7-5-4-6-8-16/h9,16H,3-8H2,1-2H3,(H,13,14,17).
What are the key properties of 2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136766320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).