4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

C21H24N4 — CID 112890866

IUPAC4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1nccc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-16(2)18-11-7-8-12-19(18)23-21-22-14-13-20(24-21)25(3)15-17-9-5-4-6-10-17/h4-14,16H,15H2,1-3H3,(H,22,23,24)
InChIKeyDBSSWWSMQKQPQI-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.98
Rot. Bonds6

About 4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112890866) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112890866
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1nccc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-16(2)18-11-7-8-12-19(18)23-21-22-14-13-20(24-21)25(3)15-17-9-5-4-6-10-17/h4-14,16H,15H2,1-3H3,(H,22,23,24)
InChIKeyDBSSWWSMQKQPQI-UHFFFAOYSA-N
XLogP4.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-4-N-phenyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112902028
4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112890932
4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890671
4-N-benzyl-2-N-(2-chlorophenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900027
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
2-N-(1,3-benzodioxol-5-yl)-4-N-benzyl-4-N-methylpyrimidine-2,4-diamine
CID 112890926
4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900009
4-N-[3-(dimethylamino)propyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112887659
4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899705
4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112892945
2-N-(2-propan-2-ylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893465

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112890866) is 4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is CC(C)c1ccccc1Nc1nccc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is DBSSWWSMQKQPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-16(2)18-11-7-8-12-19(18)23-21-22-14-13-20(24-21)25(3)15-17-9-5-4-6-10-17/h4-14,16H,15H2,1-3H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112890866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).