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

C10H17N3O2 — CID 136866831

IUPAC4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCCCCO)nc[nH]1
InChIInChI=1S/C10H17N3O2/c14-6-4-2-1-3-5-11-9-7-10(15)13-8-12-9/h7-8,14H,1-6H2,(H2,11,12,13,15)
InChIKeyJVTFUKQFSHMXDQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.73
Rot. Bonds7

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

4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one (PubChem CID 136866831) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
PubChem CID136866831
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCCCCO)nc[nH]1
InChIInChI=1S/C10H17N3O2/c14-6-4-2-1-3-5-11-9-7-10(15)13-8-12-9/h7-8,14H,1-6H2,(H2,11,12,13,15)
InChIKeyJVTFUKQFSHMXDQ-UHFFFAOYSA-N
XLogP0.73
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one (CID 136866831) is 4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one is O=c1cc(NCCCCCCO)nc[nH]1.
What is the InChIKey of 4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
The InChIKey is JVTFUKQFSHMXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c14-6-4-2-1-3-5-11-9-7-10(15)13-8-12-9/h7-8,14H,1-6H2,(H2,11,12,13,15).
What are the key properties of 4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one?
4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136866831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).