4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C16H22N4 — CID 80754444

IUPAC4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(Cc2ccccc2)C(C)C)nc(C)n1
InChIInChI=1S/C16H22N4/c1-12(2)20(11-14-8-6-5-7-9-14)16-10-15(17-4)18-13(3)19-16/h5-10,12H,11H2,1-4H3,(H,17,18,19)
InChIKeyRMGYXDFYKGIFMC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.24
Rot. Bonds5

About 4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80754444) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80754444
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(Cc2ccccc2)C(C)C)nc(C)n1
InChIInChI=1S/C16H22N4/c1-12(2)20(11-14-8-6-5-7-9-14)16-10-15(17-4)18-13(3)19-16/h5-10,12H,11H2,1-4H3,(H,17,18,19)
InChIKeyRMGYXDFYKGIFMC-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine 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

4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867908
4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872608
4-N-benzyl-6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872925
2-[[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194876
4-N-benzyl-6-N-(3-methoxyphenyl)-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876099
methyl 4-[[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112876113
6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80774664
2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine
CID 80754126
4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876085
4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80821545
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80757098
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112876095

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 80754444) is 4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(N(Cc2ccccc2)C(C)C)nc(C)n1.
What is the InChIKey of 4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RMGYXDFYKGIFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(2)20(11-14-8-6-5-7-9-14)16-10-15(17-4)18-13(3)19-16/h5-10,12H,11H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80754444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).