6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride

C19H21ClN4 — CID 67948246

IUPAC6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
SMILESCc1cc(Nc2ccccc2C)nc(Nc2ccccc2C)n1.Cl
InChIInChI=1S/C19H20N4.ClH/c1-13-8-4-6-10-16(13)21-18-12-15(3)20-19(23-18)22-17-11-7-5-9-14(17)2;/h4-12H,1-3H3,(H2,20,21,22,23);1H
InChIKeyWTRAJROJQATIEB-UHFFFAOYSA-N
MW340.86 g/mol
LogP5.31
Rot. Bonds4

About 6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride

6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride (PubChem CID 67948246) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
PubChem CID67948246
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
SMILESCc1cc(Nc2ccccc2C)nc(Nc2ccccc2C)n1.Cl
InChIInChI=1S/C19H20N4.ClH/c1-13-8-4-6-10-16(13)21-18-12-15(3)20-19(23-18)22-17-11-7-5-9-14(17)2;/h4-12H,1-3H3,(H2,20,21,22,23);1H
InChIKeyWTRAJROJQATIEB-UHFFFAOYSA-N
XLogP5.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.86
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927111
6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112927032
N-[4-[[4-methyl-6-(2-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112927042
2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928067
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112925266
2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932302
6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 67948626
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112920864
2-N-(4-chloro-2-methylphenyl)-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930048
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926921
2-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112921824

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride (CID 67948246) is 6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride is Cc1cc(Nc2ccccc2C)nc(Nc2ccccc2C)n1.Cl.
What is the InChIKey of 6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is WTRAJROJQATIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4.ClH/c1-13-8-4-6-10-16(13)21-18-12-15(3)20-19(23-18)22-17-11-7-5-9-14(17)2;/h4-12H,1-3H3,(H2,20,21,22,23);1H.
What are the key properties of 6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride?
6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 67948246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).