4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine

C21H24N4 — CID 112899834

IUPAC4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1nccc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-21(2,3)24-20-22-15-14-19(23-20)25(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-15H,16H2,1-3H3,(H,22,23,24)
InChIKeyIRYKHIYOZIRGTO-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.03
Rot. Bonds5

About 4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine

4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112899834) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112899834
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1nccc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-21(2,3)24-20-22-15-14-19(23-20)25(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-15H,16H2,1-3H3,(H,22,23,24)
InChIKeyIRYKHIYOZIRGTO-UHFFFAOYSA-N
XLogP5.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-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

4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112903480
4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112889343
4-N-benzyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882729
4-N-benzyl-6-methyl-4-N-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908038
4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893856
4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112908809
2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine
CID 82104309
4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900009
4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893329
5-N-benzyl-3-N-butyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112940224
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890671

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine (CID 112899834) is 4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine is CC(C)(C)Nc1nccc(N(Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is IRYKHIYOZIRGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-21(2,3)24-20-22-15-14-19(23-20)25(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-15H,16H2,1-3H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112899834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).