4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine

C18H18N4 — CID 112890302

IUPAC4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(CNc2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4/c1-14-7-9-15(10-8-14)13-20-17-11-12-19-18(22-17)21-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,19,20,21,22)
InChIKeyIEJJEMWLRGYPNN-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.14
Rot. Bonds5

About 4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine

4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112890302) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112890302
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(CNc2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4/c1-14-7-9-15(10-8-14)13-20-17-11-12-19-18(22-17)21-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,19,20,21,22)
InChIKeyIEJJEMWLRGYPNN-UHFFFAOYSA-N
XLogP4.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891413
2-N-(4-methylphenyl)-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890029
2-N-(3-chloro-4-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890332
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112889503
4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891132
2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890373
2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112871962
2-N-(4-ethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893462
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112897214
2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol
CID 69186524
4-N-[(4-chlorophenyl)methyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112891930

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine (CID 112890302) is 4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine is Cc1ccc(CNc2ccnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is IEJJEMWLRGYPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-14-7-9-15(10-8-14)13-20-17-11-12-19-18(22-17)21-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112890302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).