2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

C21H24N4 — CID 112902549

IUPAC2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1ccnc(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C21H24N4/c1-5-25(18-8-6-7-15(2)13-18)20-11-12-22-21(24-20)23-19-14-16(3)9-10-17(19)4/h6-14H,5H2,1-4H3,(H,22,23,24)
InChIKeyBPFHTVIOJONACK-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.30
Rot. Bonds5

About 2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112902549) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112902549
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1ccnc(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C21H24N4/c1-5-25(18-8-6-7-15(2)13-18)20-11-12-22-21(24-20)23-19-14-16(3)9-10-17(19)4/h6-14H,5H2,1-4H3,(H,22,23,24)
InChIKeyBPFHTVIOJONACK-UHFFFAOYSA-N
XLogP5.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112905325
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902908
2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902939
N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
CID 20772068
5-N-ethyl-5-N-(3-methylphenyl)-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962353
2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899106
4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926991
3-N-(2-ethoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967560
4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112902915
6-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23477677
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112902549) is 2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1ccnc(Nc2cc(C)ccc2C)n1.
What is the InChIKey of 2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is BPFHTVIOJONACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-5-25(18-8-6-7-15(2)13-18)20-11-12-22-21(24-20)23-19-14-16(3)9-10-17(19)4/h6-14H,5H2,1-4H3,(H,22,23,24).
What are the key properties of 2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112902549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).