6-butoxy-N-methyl-2-phenylpyrimidin-4-amine

C15H19N3O — CID 112559898

IUPAC6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCCCOc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-3-4-10-19-14-11-13(16-2)17-15(18-14)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,17,18)
InChIKeyJWFXFHONFIEAPC-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.36
Rot. Bonds6

About 6-butoxy-N-methyl-2-phenylpyrimidin-4-amine

6-butoxy-N-methyl-2-phenylpyrimidin-4-amine (PubChem CID 112559898) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-butoxy-N-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
PubChem CID112559898
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCCCOc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-3-4-10-19-14-11-13(16-2)17-15(18-14)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,17,18)
InChIKeyJWFXFHONFIEAPC-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.36
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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Related Compounds

N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915871
N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
CID 115915818
N-ethyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915870
N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 115915852
6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine
CID 112559905
2-[2-phenyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 115915860
6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915948
[2-phenyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
CID 115916312
[6-(2-ethoxyethoxy)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916297
N-methyl-2-phenyl-6-propan-2-yloxypyrimidin-4-amine
CID 112559886
2-phenyl-4-[4-(2-phenyl-6-propylpyrimidin-4-yl)oxybutoxy]-6-propylpyrimidine
CID 74538841
6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 103491721

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-butoxy-N-methyl-2-phenylpyrimidin-4-amine (CID 112559898) is 6-butoxy-N-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-N-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-butoxy-N-methyl-2-phenylpyrimidin-4-amine is CCCCOc1cc(NC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-butoxy-N-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is JWFXFHONFIEAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-4-10-19-14-11-13(16-2)17-15(18-14)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,17,18).
What are the key properties of 6-butoxy-N-methyl-2-phenylpyrimidin-4-amine?
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112559898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).