2-(5-methylhexylamino)-1H-pyrimidin-6-one

C11H19N3O — CID 167675672

IUPAC2-(5-methylhexylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCCNc1nccc(=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-9(2)5-3-4-7-12-11-13-8-6-10(15)14-11/h6,8-9H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyUTUQLXWVHCGBTE-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.01
Rot. Bonds6

About 2-(5-methylhexylamino)-1H-pyrimidin-6-one

2-(5-methylhexylamino)-1H-pyrimidin-6-one (PubChem CID 167675672) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(5-methylhexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-methylhexylamino)-1H-pyrimidin-6-one
PubChem CID167675672
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(5-methylhexylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCCNc1nccc(=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-9(2)5-3-4-7-12-11-13-8-6-10(15)14-11/h6,8-9H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyUTUQLXWVHCGBTE-UHFFFAOYSA-N
XLogP2.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(5-methylhexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-methylhexylamino)-1H-pyrimidin-6-one (CID 167675672) is 2-(5-methylhexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-methylhexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-methylhexylamino)-1H-pyrimidin-6-one is CC(C)CCCCNc1nccc(=O)[nH]1.
What is the InChIKey of 2-(5-methylhexylamino)-1H-pyrimidin-6-one?
The InChIKey is UTUQLXWVHCGBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)5-3-4-7-12-11-13-8-6-10(15)14-11/h6,8-9H,3-5,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-(5-methylhexylamino)-1H-pyrimidin-6-one?
2-(5-methylhexylamino)-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 167675672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).