4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one

C17H31N3O — CID 135818519

IUPAC4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCCCCCCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C17H31N3O/c1-3-4-5-6-7-8-9-10-11-12-13-18-16-14-17(21)20-15(2)19-16/h14H,3-13H2,1-2H3,(H2,18,19,20,21)
InChIKeyNSMSLCJOJORPOY-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.41
Rot. Bonds12

About 4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one

4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 135818519) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID135818519
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCCCCCCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C17H31N3O/c1-3-4-5-6-7-8-9-10-11-12-13-18-16-14-17(21)20-15(2)19-16/h14H,3-13H2,1-2H3,(H2,18,19,20,21)
InChIKeyNSMSLCJOJORPOY-UHFFFAOYSA-N
XLogP4.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(dodecylamino)-2-methyl-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-[4-(dibutylamino)-6-oxo-1H-pyrimidin-2-yl]-3-dodecylurea
CID 136704301
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
6-amino-2-dodecylpyrimidin-4(3H)-one
CID 136662687
2-(tridecylamino)-1H-pyrimidin-6-one
CID 18353592
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
4-(butylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818517
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
2-methyl-4-(octadecylamino)-1H-pyrimidin-6-one
CID 135818520
2-ethyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278155
2-ethyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136278156

Frequently Asked Questions

What is the IUPAC name of 4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one (CID 135818519) is 4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one is CCCCCCCCCCCCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NSMSLCJOJORPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-4-5-6-7-8-9-10-11-12-13-18-16-14-17(21)20-15(2)19-16/h14H,3-13H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one?
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 293.45 g/mol, XLogP of 4.41, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135818519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).