3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol

C19H20N4O — CID 123833120

IUPAC3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol
SMILESCCc1cccc(Nc2nccc(Nc3cc(O)ccc3C)n2)c1
InChIInChI=1S/C19H20N4O/c1-3-14-5-4-6-15(11-14)21-19-20-10-9-18(23-19)22-17-12-16(24)8-7-13(17)2/h4-12,24H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyREJBUCDTXJARCU-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.54
Rot. Bonds5

About 3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol

3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol (PubChem CID 123833120) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol.

Molecular Properties

Compound Name3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol
PubChem CID123833120
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol
SMILESCCc1cccc(Nc2nccc(Nc3cc(O)ccc3C)n2)c1
InChIInChI=1S/C19H20N4O/c1-3-14-5-4-6-15(11-14)21-19-20-10-9-18(23-19)22-17-12-16(24)8-7-13(17)2/h4-12,24H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyREJBUCDTXJARCU-UHFFFAOYSA-N
XLogP4.54
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[4-[amino(hydroxy)methyl]anilino]pyrimidin-4-yl]amino]-4-methylphenol
CID 170284243
4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761889
3-[[4-(2-bromo-5-hydroxyanilino)pyrimidin-2-yl]amino]benzamide
CID 25138016
2-N-(3-bromo-4-methylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901813
3-[[4-[5-(methanesulfonamido)-2-methylanilino]pyrimidin-2-yl]amino]benzamide
CID 25138027
ethyl 2-[[2-(3,4-dimethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112902600
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903019
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
3-[[4-(2-hydroxy-6-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 25138020
[3-[[4-(1,3-benzodioxol-4-ylamino)pyrimidin-2-yl]amino]phenyl]methanol
CID 66931137
3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 90489120

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol?
The IUPAC name of 3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol (CID 123833120) is 3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol.
What is the SMILES notation for 3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol?
The canonical SMILES for 3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol is CCc1cccc(Nc2nccc(Nc3cc(O)ccc3C)n2)c1.
What is the InChIKey of 3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol?
The InChIKey is REJBUCDTXJARCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-14-5-4-6-15(11-14)21-19-20-10-9-18(23-19)22-17-12-16(24)8-7-13(17)2/h4-12,24H,3H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol?
3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol has a molecular weight of 320.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol is sourced from PubChem (CID 123833120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).