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

C19H20N4 — CID 112902020

IUPAC2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(N(C)c3ccccc3)n2)cc1C
InChIInChI=1S/C19H20N4/c1-14-9-10-16(13-15(14)2)21-19-20-12-11-18(22-19)23(3)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,20,21,22)
InChIKeyAEEKNUWNPZVFDF-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.60
Rot. Bonds4

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

2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112902020) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112902020
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(N(C)c3ccccc3)n2)cc1C
InChIInChI=1S/C19H20N4/c1-14-9-10-16(13-15(14)2)21-19-20-12-11-18(22-19)23(3)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,20,21,22)
InChIKeyAEEKNUWNPZVFDF-UHFFFAOYSA-N
XLogP4.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112927480
4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902093
N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902066
methyl 4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902069
4-N-methyl-4-N-phenyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112902075
2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902908
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902106
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
4-N-methyl-4-N-phenyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112902028
4-N-(4-aminophenyl)-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 123582073
2-N-(2-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902024
[3-[[4-(4-amino-N-methylanilino)pyrimidin-2-yl]amino]phenyl]sulfanium
CID 144959182

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 112902020) is 2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is Cc1ccc(Nc2nccc(N(C)c3ccccc3)n2)cc1C.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is AEEKNUWNPZVFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-14-9-10-16(13-15(14)2)21-19-20-12-11-18(22-19)23(3)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,20,21,22).
What are the key properties of 2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 304.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112902020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).