6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine

C15H21N5 — CID 19134824

IUPAC6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCCCCNc1ncnc(N(C)c2ccccc2)c1N
InChIInChI=1S/C15H21N5/c1-3-4-10-17-14-13(16)15(19-11-18-14)20(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10,16H2,1-2H3,(H,17,18,19)
InChIKeyVXIUFTWNIOLSIM-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.04
Rot. Bonds6

About 6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine

6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine (PubChem CID 19134824) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
PubChem CID19134824
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCCCCNc1ncnc(N(C)c2ccccc2)c1N
InChIInChI=1S/C15H21N5/c1-3-4-10-17-14-13(16)15(19-11-18-14)20(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10,16H2,1-2H3,(H,17,18,19)
InChIKeyVXIUFTWNIOLSIM-UHFFFAOYSA-N
XLogP3.04
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-phenyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19144572
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine
CID 22539506
6-N-butyl-4-N-(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19134851
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033
6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144474
4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539915
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831
4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22539520
6-N-butyl-4-N-ethyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 23478169
6-N-(2,4-difluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144545
6-N-(2,4-dichlorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144482

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine (CID 19134824) is 6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine is CCCCNc1ncnc(N(C)c2ccccc2)c1N.
What is the InChIKey of 6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The InChIKey is VXIUFTWNIOLSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-4-10-17-14-13(16)15(19-11-18-14)20(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10,16H2,1-2H3,(H,17,18,19).
What are the key properties of 6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine has a molecular weight of 271.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19134824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).