2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol

C19H19ClN4O — CID 24824262

IUPAC2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CNc2ccnc(Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H19ClN4O/c1-13-5-7-14(8-6-13)17(25)12-22-18-9-10-21-19(24-18)23-16-4-2-3-15(20)11-16/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24)
InChIKeyQVSTXROLKDLFON-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.33
Rot. Bonds6

About 2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol

2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol (PubChem CID 24824262) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol
PubChem CID24824262
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CNc2ccnc(Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H19ClN4O/c1-13-5-7-14(8-6-13)17(25)12-22-18-9-10-21-19(24-18)23-16-4-2-3-15(20)11-16/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24)
InChIKeyQVSTXROLKDLFON-UHFFFAOYSA-N
XLogP4.33
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112901380
3-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 24823180
2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 23652519
2-[[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 24822683
2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560
1-(3-methoxyphenyl)-2-[[2-(3-methylsulfonylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824538
2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol
CID 71125354
2-N-(3-chlorophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891158
4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzoic acid
CID 69194326
(1S)-2-[(2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 87737078
N-[4-[[4-(3-chloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112903681

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol (CID 24824262) is 2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CNc2ccnc(Nc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol?
The InChIKey is QVSTXROLKDLFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-13-5-7-14(8-6-13)17(25)12-22-18-9-10-21-19(24-18)23-16-4-2-3-15(20)11-16/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol?
2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol has a molecular weight of 354.84 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 24824262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).