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

C19H19ClN4O2 — CID 71125354

IUPAC2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2ccnc(Nc3ccccc3Cl)n2)c1
InChIInChI=1S/C19H19ClN4O2/c1-26-14-6-4-5-13(11-14)17(25)12-22-18-9-10-21-19(24-18)23-16-8-3-2-7-15(16)20/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24)
InChIKeyQKWQCSBJNRUOGJ-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.03
Rot. Bonds7

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

2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol (PubChem CID 71125354) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol
PubChem CID71125354
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2ccnc(Nc3ccccc3Cl)n2)c1
InChIInChI=1S/C19H19ClN4O2/c1-26-14-6-4-5-13(11-14)17(25)12-22-18-9-10-21-19(24-18)23-16-8-3-2-7-15(16)20/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24)
InChIKeyQKWQCSBJNRUOGJ-UHFFFAOYSA-N
XLogP4.03
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-2-[[2-(3-methylsulfonylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824538
1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol
CID 24824694
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol
CID 24824262
1-(3-methoxyphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 133470904
2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895451
3-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 24823180
2-N-(2-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903653
2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 110663435
2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol
CID 133304652
4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzoic acid
CID 69194326
2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol
CID 133321810

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol (CID 71125354) is 2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNc2ccnc(Nc3ccccc3Cl)n2)c1.
What is the InChIKey of 2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is QKWQCSBJNRUOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-26-14-6-4-5-13(11-14)17(25)12-22-18-9-10-21-19(24-18)23-16-8-3-2-7-15(16)20/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol?
2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 370.84 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 71125354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).