2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

C21H24N4 — CID 112927072

IUPAC2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nc(C)cc(Nc2ccccc2C)n1
InChIInChI=1S/C21H24N4/c1-5-25(18-11-8-9-15(2)13-18)21-22-17(4)14-20(24-21)23-19-12-7-6-10-16(19)3/h6-14H,5H2,1-4H3,(H,22,23,24)
InChIKeyADNASLLHCHYMKX-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.30
Rot. Bonds5

About 2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112927072) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112927072
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nc(C)cc(Nc2ccccc2C)n1
InChIInChI=1S/C21H24N4/c1-5-25(18-11-8-9-15(2)13-18)21-22-17(4)14-20(24-21)23-19-12-7-6-10-16(19)3/h6-14H,5H2,1-4H3,(H,22,23,24)
InChIKeyADNASLLHCHYMKX-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-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112930483
2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112932348
4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112931154
2-N-ethyl-6-methyl-2-N-(3-methylphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907876
4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112928845
2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112927331
2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112917326
4-(aminomethyl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541694
4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112904861
4-N-(2-chlorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924240
N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334801
1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112928857

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112927072) is 2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1nc(C)cc(Nc2ccccc2C)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is ADNASLLHCHYMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-5-25(18-11-8-9-15(2)13-18)21-22-17(4)14-20(24-21)23-19-12-7-6-10-16(19)3/h6-14H,5H2,1-4H3,(H,22,23,24).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-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-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112927072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).