2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol

C20H21ClN4O2 — CID 11451948

IUPAC2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol
SMILESCCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCO)cc2)nc(N)n1
InChIInChI=1S/C20H21ClN4O2/c1-2-27-18-8-5-14(21)11-16(18)17-12-19(25-20(22)24-17)23-15-6-3-13(4-7-15)9-10-26/h3-8,11-12,26H,2,9-10H2,1H3,(H3,22,23,24,25)
InChIKeyVUUVNHVNEHRWAM-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.06
Rot. Bonds7

About 2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol

2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol (PubChem CID 11451948) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol
PubChem CID11451948
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol
SMILESCCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCO)cc2)nc(N)n1
InChIInChI=1S/C20H21ClN4O2/c1-2-27-18-8-5-14(21)11-16(18)17-12-19(25-20(22)24-17)23-15-6-3-13(4-7-15)9-10-26/h3-8,11-12,26H,2,9-10H2,1H3,(H3,22,23,24,25)
InChIKeyVUUVNHVNEHRWAM-UHFFFAOYSA-N
XLogP4.06
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol with MolForge

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Related Compounds

5-(3-Chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine
CID 10927461
Ethylaminopyrimidine derivative 1
CID 44203832
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
CID 24778299
4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
7-(5-Chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
CID 56659281
5-(3-Chlorophenyl)-6-(5-phenoxypentyl)pyrimidine-2,4-diamine;hydrochloride
CID 155512559
Ethyl 4-[2-[2-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]ethyl]phenoxy]butanoate;hydrochloride
CID 155517476
5-(3-Chlorophenyl)-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride
CID 155527394
5-(3-Chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine;hydrochloride
CID 155550798
5-(3-Chlorophenyl)-6-(4-phenoxybutyl)pyrimidine-2,4-diamine;hydrochloride
CID 155557612
[4-[[4-Amino-6-(5-chloro-2-ethoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanol
CID 9969469
6-(5-Chloro-2-ethoxy-phenyl)-N-(4-chloro-phenyl)-[1,3,5]triazine-2,4-diamine
CID 10110036

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol (CID 11451948) is 2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol is CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCO)cc2)nc(N)n1.
What is the InChIKey of 2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The InChIKey is VUUVNHVNEHRWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-2-27-18-8-5-14(21)11-16(18)17-12-19(25-20(22)24-17)23-15-6-3-13(4-7-15)9-10-26/h3-8,11-12,26H,2,9-10H2,1H3,(H3,22,23,24,25).
What are the key properties of 2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol?
2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol has a molecular weight of 384.87 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol is sourced from PubChem (CID 11451948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).