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

C10H18N4O2 — CID 136766319

IUPAC5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCCO)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-14(5-3-2-4-6-15)9-8(11)10(16)13-7-12-9/h7,15H,2-6,11H2,1H3,(H,12,13,16)
InChIKeySDDLEVCTMHBWSM-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.05
Rot. Bonds6

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

5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136766319) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136766319
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCCO)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-14(5-3-2-4-6-15)9-8(11)10(16)13-7-12-9/h7,15H,2-6,11H2,1H3,(H,12,13,16)
InChIKeySDDLEVCTMHBWSM-UHFFFAOYSA-N
XLogP-0.05
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-(5-hydroxypentyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
CID 10265737
5-amino-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758189
5-amino-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759212
5-bromo-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766322
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323
4-[5-hydroxypentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136766324
5-chloro-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766325
5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772467
5-amino-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786671
5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857350
5-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857359
5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one (CID 136766319) is 5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one is CN(CCCCCO)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is SDDLEVCTMHBWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-14(5-3-2-4-6-15)9-8(11)10(16)13-7-12-9/h7,15H,2-6,11H2,1H3,(H,12,13,16).
What are the key properties of 5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136766319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).