4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine

C19H20N4 — CID 112876874

IUPAC4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2)cc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C19H20N4/c1-13-8-7-11-17(14(13)2)23-19-12-18(20-15(3)21-19)22-16-9-5-4-6-10-16/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyCEMQPCJTYIGWCQ-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.89
Rot. Bonds4

About 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine

4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine (PubChem CID 112876874) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
PubChem CID112876874
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2)cc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C19H20N4/c1-13-8-7-11-17(14(13)2)23-19-12-18(20-15(3)21-19)22-16-9-5-4-6-10-16/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyCEMQPCJTYIGWCQ-UHFFFAOYSA-N
XLogP4.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dimethylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761966
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875919
2,3-dimethyl-N-phenylaniline
CID 14952469
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876944
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868124
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112876996
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876148
N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728827
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine (CID 112876874) is 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine is Cc1nc(Nc2ccccc2)cc(Nc2cccc(C)c2C)n1.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The InChIKey is CEMQPCJTYIGWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-13-8-7-11-17(14(13)2)23-19-12-18(20-15(3)21-19)22-16-9-5-4-6-10-16/h4-12H,1-3H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine has a molecular weight of 304.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).