2-(8-methylnonylamino)-1H-pyrimidin-6-one

C14H25N3O — CID 67606113

IUPAC2-(8-methylnonylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCCCCCNc1nccc(=O)[nH]1
InChIInChI=1S/C14H25N3O/c1-12(2)8-6-4-3-5-7-10-15-14-16-11-9-13(18)17-14/h9,11-12H,3-8,10H2,1-2H3,(H2,15,16,17,18)
InChIKeyRMKVGZITUKNVHL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.18
Rot. Bonds9

About 2-(8-methylnonylamino)-1H-pyrimidin-6-one

2-(8-methylnonylamino)-1H-pyrimidin-6-one (PubChem CID 67606113) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(8-methylnonylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(8-methylnonylamino)-1H-pyrimidin-6-one
PubChem CID67606113
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(8-methylnonylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCCCCCNc1nccc(=O)[nH]1
InChIInChI=1S/C14H25N3O/c1-12(2)8-6-4-3-5-7-10-15-14-16-11-9-13(18)17-14/h9,11-12H,3-8,10H2,1-2H3,(H2,15,16,17,18)
InChIKeyRMKVGZITUKNVHL-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(8-methylnonylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-octyl-3-(6-oxo-1H-pyrimidin-2-yl)urea
CID 91118207
2-(pentylamino)-1H-pyrimidin-6-one
CID 2069401
2-(tridecylamino)-1H-pyrimidin-6-one
CID 18353592
2-(hexylamino)-1H-pyrimidin-6-one
CID 20460234
2-(heptan-3-ylamino)-1H-pyrimidin-6-one
CID 22182970
2-(2,2,6,6-Tetramethyl-piperidin-4-ylamino)-pyrimidin-4-ol
CID 69061305
2-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 140329315
2-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 156186409
2-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 167675672
2-(2-ethylpentylamino)-1H-pyrimidin-6-one
CID 121216565
2-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 129914736
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823

Frequently Asked Questions

What is the IUPAC name of 2-(8-methylnonylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(8-methylnonylamino)-1H-pyrimidin-6-one (CID 67606113) is 2-(8-methylnonylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(8-methylnonylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(8-methylnonylamino)-1H-pyrimidin-6-one is CC(C)CCCCCCCNc1nccc(=O)[nH]1.
What is the InChIKey of 2-(8-methylnonylamino)-1H-pyrimidin-6-one?
The InChIKey is RMKVGZITUKNVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)8-6-4-3-5-7-10-15-14-16-11-9-13(18)17-14/h9,11-12H,3-8,10H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(8-methylnonylamino)-1H-pyrimidin-6-one?
2-(8-methylnonylamino)-1H-pyrimidin-6-one has a molecular weight of 251.37 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylnonylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 67606113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).