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

C10H17N3O3 — CID 136759211

IUPAC4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCCCCO)nc[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-16-8-9(12-7-13-10(8)15)11-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeyFMVQTNOSWSUWKE-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.35
Rot. Bonds7

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

4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136759211) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136759211
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCCCCO)nc[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-16-8-9(12-7-13-10(8)15)11-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeyFMVQTNOSWSUWKE-UHFFFAOYSA-N
XLogP0.35
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.35
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

4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136758190
4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136766321
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136772465
4-[(3S)-3-hydroxypiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136811793
4-[(3-ethyl-2-hydroxypentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136817764
4-[(2-hydroxy-2-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136819386
4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136823136
4-[5-aminopentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136829852

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136759211) is 4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NCCCCCO)nc[nH]c1=O.
What is the InChIKey of 4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is FMVQTNOSWSUWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-16-8-9(12-7-13-10(8)15)11-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15).
What are the key properties of 4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136759211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).