4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine

C21H24N4 — CID 112916535

IUPAC4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nc(C)cc(Nc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C21H24N4/c1-14-6-9-18(10-7-14)13-22-21-23-17(4)12-20(25-21)24-19-11-15(2)5-8-16(19)3/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeySXYKRSDJFJFHQF-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.07
Rot. Bonds5

About 4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine

4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112916535) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112916535
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nc(C)cc(Nc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C21H24N4/c1-14-6-9-18(10-7-14)13-22-21-23-17(4)12-20(25-21)24-19-11-15(2)5-8-16(19)3/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeySXYKRSDJFJFHQF-UHFFFAOYSA-N
XLogP5.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920871
4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919930
2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916415
4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916596
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922793
4-N-(3,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916608
6-methyl-4-N-[(2-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915782
4-N-(2,4-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920870
4-N-(5-chloro-2-methylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112922812
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916401

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112916535) is 4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine is Cc1ccc(CNc2nc(C)cc(Nc3cc(C)ccc3C)n2)cc1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SXYKRSDJFJFHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-14-6-9-18(10-7-14)13-22-21-23-17(4)12-20(25-21)24-19-11-15(2)5-8-16(19)3/h5-12H,13H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112916535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).