4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one

C15H19N3O — CID 11708677

IUPAC4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one
SMILESCCCCNc1cc(C)n(-c2ccccc2)c(=O)n1
InChIInChI=1S/C15H19N3O/c1-3-4-10-16-14-11-12(2)18(15(19)17-14)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,17,19)
InChIKeyBJTGMGZMPORHLJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.75
Rot. Bonds5

About 4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one

4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one (PubChem CID 11708677) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one.

Molecular Properties

Compound Name4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one
PubChem CID11708677
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one
SMILESCCCCNc1cc(C)n(-c2ccccc2)c(=O)n1
InChIInChI=1S/C15H19N3O/c1-3-4-10-16-14-11-12(2)18(15(19)17-14)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,17,19)
InChIKeyBJTGMGZMPORHLJ-UHFFFAOYSA-N
XLogP2.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
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-(butylamino)-6-methyl-1-phenylpyrimidin-2-one?
The IUPAC name of 4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one (CID 11708677) is 4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one.
What is the SMILES notation for 4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one?
The canonical SMILES for 4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one is CCCCNc1cc(C)n(-c2ccccc2)c(=O)n1.
What is the InChIKey of 4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one?
The InChIKey is BJTGMGZMPORHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-4-10-16-14-11-12(2)18(15(19)17-14)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,17,19).
What are the key properties of 4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one?
4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-6-methyl-1-phenylpyrimidin-2-one is sourced from PubChem (CID 11708677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).