2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine

C22H26N4 — CID 112933555

IUPAC2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(-c2ccccc2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H26N4/c1-3-4-15-23-21-16-20(19-13-9-6-10-14-19)24-22(25-21)26(2)17-18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,23,24,25)
InChIKeyQSMVPJGOKNGTAD-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.99
Rot. Bonds8

About 2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine

2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112933555) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112933555
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(-c2ccccc2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H26N4/c1-3-4-15-23-21-16-20(19-13-9-6-10-14-19)24-22(25-21)26(2)17-18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,23,24,25)
InChIKeyQSMVPJGOKNGTAD-UHFFFAOYSA-N
XLogP4.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.99
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

2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933584
2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932437
2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933755
4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
CID 55045579
3-[[2-[benzyl(methyl)amino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112936977
2-N-benzyl-4-N-[2-(dimethylamino)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112912774
4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine
CID 112933581
2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882826
N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112852236
4-N-butyl-2-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112933559
2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine (CID 112933555) is 2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine is CCCCNc1cc(-c2ccccc2)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is QSMVPJGOKNGTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-3-4-15-23-21-16-20(19-13-9-6-10-14-19)24-22(25-21)26(2)17-18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,23,24,25).
What are the key properties of 2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 346.48 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).