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

C19H20N4 — CID 112871962

IUPAC2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
SMILESCc1ccc(CNc2cc(Nc3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C19H20N4/c1-14-8-10-16(11-9-14)13-20-18-12-19(22-15(2)21-18)23-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyLWNKKTKPKJTSOV-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.45
Rot. Bonds5

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

2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112871962) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112871962
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
SMILESCc1ccc(CNc2cc(Nc3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C19H20N4/c1-14-8-10-16(11-9-14)13-20-18-12-19(22-15(2)21-18)23-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyLWNKKTKPKJTSOV-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-(4-bromophenyl)-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871986
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112872493
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
4-[[2-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113193226
6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112871574
2-methyl-4-N-(4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873723
6-N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112873049
3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112871646
N-[3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112871603
3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193381
ethyl 4-[[2-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112872020
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine (CID 112871962) is 2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine is Cc1ccc(CNc2cc(Nc3ccccc3)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is LWNKKTKPKJTSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-14-8-10-16(11-9-14)13-20-18-12-19(22-15(2)21-18)23-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-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 2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112871962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).