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

C11H19N3O3 — CID 136866830

IUPAC4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCCCCCO)nc[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-17-9-10(13-8-14-11(9)16)12-6-4-2-3-5-7-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyNFQDNCVTUSGZEQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds8

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

4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136866830) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136866830
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCCCCCO)nc[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-17-9-10(13-8-14-11(9)16)12-6-4-2-3-5-7-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyNFQDNCVTUSGZEQ-UHFFFAOYSA-N
XLogP0.74
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.74
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)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136746820
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136759211
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

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136866830) is 4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NCCCCCCO)nc[nH]c1=O.
What is the InChIKey of 4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is NFQDNCVTUSGZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-17-9-10(13-8-14-11(9)16)12-6-4-2-3-5-7-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136866830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).