6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine

C18H18N4 — CID 112859074

IUPAC6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(Nc3ccccc3)ncn2)c1
InChIInChI=1S/C18H18N4/c1-14-6-5-7-15(10-14)12-19-17-11-18(21-13-20-17)22-16-8-3-2-4-9-16/h2-11,13H,12H2,1H3,(H2,19,20,21,22)
InChIKeyHIJVLOADYBLUMC-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.14
Rot. Bonds5

About 6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine

6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112859074) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112859074
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(Nc3ccccc3)ncn2)c1
InChIInChI=1S/C18H18N4/c1-14-6-5-7-15(10-14)12-19-17-11-18(21-13-20-17)22-16-8-3-2-4-9-16/h2-11,13H,12H2,1H3,(H2,19,20,21,22)
InChIKeyHIJVLOADYBLUMC-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

6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859062
4-N-(3-methylphenyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863578
6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859096
6-N-benzyl-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858793
6-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112859143
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
6-N-[2-(dimethylamino)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112857378
6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859132
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine (CID 112859074) is 6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine is Cc1cccc(CNc2cc(Nc3ccccc3)ncn2)c1.
What is the InChIKey of 6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is HIJVLOADYBLUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-14-6-5-7-15(10-14)12-19-17-11-18(21-13-20-17)22-16-8-3-2-4-9-16/h2-11,13H,12H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-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 6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112859074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).