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

C19H20N4 — CID 112915976

IUPAC6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(NCc2ccccc2C)n1
InChIInChI=1S/C19H20N4/c1-14-8-6-7-9-16(14)13-20-19-21-15(2)12-18(23-19)22-17-10-4-3-5-11-17/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyDFJYIKPUWRZTEP-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.45
Rot. Bonds5

About 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine

6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112915976) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112915976
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(NCc2ccccc2C)n1
InChIInChI=1S/C19H20N4/c1-14-8-6-7-9-16(14)13-20-19-21-15(2)12-18(23-19)22-17-10-4-3-5-11-17/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyDFJYIKPUWRZTEP-UHFFFAOYSA-N
XLogP4.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915986
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112915922
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908483
6-methyl-4-N-[(2-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915782
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926803
2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754196
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
2-N-[2-(2-methoxyphenyl)ethyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112921043
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
2-N-[(2-fluorophenyl)methyl]-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112917419
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine (CID 112915976) is 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2)nc(NCc2ccccc2C)n1.
What is the InChIKey of 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is DFJYIKPUWRZTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-14-8-6-7-9-16(14)13-20-19-21-15(2)12-18(23-19)22-17-10-4-3-5-11-17/h3-12H,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 304.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112915976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).