2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C22H26N4 — CID 112891002

IUPAC2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccccc1)c1ccnc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H26N4/c1-18(2)26(17-20-12-8-5-9-13-20)21-14-15-23-22(24-21)25(3)16-19-10-6-4-7-11-19/h4-15,18H,16-17H2,1-3H3
InChIKeyWDWIOXJVISKJDV-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.53
Rot. Bonds7

About 2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112891002) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112891002
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccccc1)c1ccnc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H26N4/c1-18(2)26(17-20-12-8-5-9-13-20)21-14-15-23-22(24-21)25(3)16-19-10-6-4-7-11-19/h4-15,18H,16-17H2,1-3H3
InChIKeyWDWIOXJVISKJDV-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-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

N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
CID 55065278
2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112891014
2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900078
4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900009
4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829117
2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890972
4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893856
5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959380
4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893329
4-N-benzyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882729
2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883165
4-N-benzyl-2-N-(2-chlorophenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900027

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112891002) is 2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)N(Cc1ccccc1)c1ccnc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is WDWIOXJVISKJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-18(2)26(17-20-12-8-5-9-13-20)21-14-15-23-22(24-21)25(3)16-19-10-6-4-7-11-19/h4-15,18H,16-17H2,1-3H3.
What are the key properties of 2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 346.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112891002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).