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

C9H15N3O3 — CID 136772465

IUPAC4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCCCO)nc[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-15-7-8(10-4-2-3-5-13)11-6-12-9(7)14/h6,13H,2-5H2,1H3,(H2,10,11,12,14)
InChIKeyFXNAEXWRZGIVDD-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.04
Rot. Bonds6

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

4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136772465) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136772465
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCCCO)nc[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-15-7-8(10-4-2-3-5-13)11-6-12-9(7)14/h6,13H,2-5H2,1H3,(H2,10,11,12,14)
InChIKeyFXNAEXWRZGIVDD-UHFFFAOYSA-N
XLogP-0.04
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.04
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

5-methoxy-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790777
4-[(3,3-difluoro-2-hydroxypropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136790788
4-[(2,2-difluoro-3-hydroxypropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136849681
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
4-(ethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136294602
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
5-methoxy-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696635
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
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136772465) is 4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NCCCCO)nc[nH]c1=O.
What is the InChIKey of 4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is FXNAEXWRZGIVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-15-7-8(10-4-2-3-5-13)11-6-12-9(7)14/h6,13H,2-5H2,1H3,(H2,10,11,12,14).
What are the key properties of 4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136772465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).