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

C20H22N4S — CID 54054006

IUPAC4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine
SMILESCSCc1cc(N(C)c2ccccc2)nc(Nc2ccccc2C)n1
InChIInChI=1S/C20H22N4S/c1-15-9-7-8-12-18(15)22-20-21-16(14-25-3)13-19(23-20)24(2)17-10-5-4-6-11-17/h4-13H,14H2,1-3H3,(H,21,22,23)
InChIKeyLUYIRXLDQIEQOK-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.16
Rot. Bonds6

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

4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 54054006) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine
PubChem CID54054006
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine
SMILESCSCc1cc(N(C)c2ccccc2)nc(Nc2ccccc2C)n1
InChIInChI=1S/C20H22N4S/c1-15-9-7-8-12-18(15)22-20-21-16(14-25-3)13-19(23-20)24(2)17-10-5-4-6-11-17/h4-13H,14H2,1-3H3,(H,21,22,23)
InChIKeyLUYIRXLDQIEQOK-UHFFFAOYSA-N
XLogP5.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Importazole
CID 2949965
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
Quinazoline, 2,4-dianilino-
CID 213847
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
4-N-benzyl-2-N-phenylquinazoline-2,4-diamine
CID 805487
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
5-(4-((3,5-Difluorobenzyl)amino)phenyl)-6-ethylpyrimidine-2,4-diamine
CID 6914633
N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
CID 25138203

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine (CID 54054006) is 4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine is CSCc1cc(N(C)c2ccccc2)nc(Nc2ccccc2C)n1.
What is the InChIKey of 4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is LUYIRXLDQIEQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c1-15-9-7-8-12-18(15)22-20-21-16(14-25-3)13-19(23-20)24(2)17-10-5-4-6-11-17/h4-13H,14H2,1-3H3,(H,21,22,23).
What are the key properties of 4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine?
4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 350.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 54054006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).