2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol

C22H24ClN5O2 — CID 70284092

IUPAC2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncnc(Nc3ccccc3)c2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24ClN5O2/c23-17-6-8-19(9-7-17)30-20-21(26-18-4-2-1-3-5-18)24-16-25-22(20)28-12-10-27(11-13-28)14-15-29/h1-9,16,29H,10-15H2,(H,24,25,26)
InChIKeyYHQXTUNPFIZMNS-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.78
Rot. Bonds7

About 2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 70284092) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID70284092
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncnc(Nc3ccccc3)c2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24ClN5O2/c23-17-6-8-19(9-7-17)30-20-21(26-18-4-2-1-3-5-18)24-16-25-22(20)28-12-10-27(11-13-28)14-15-29/h1-9,16,29H,10-15H2,(H,24,25,26)
InChIKeyYHQXTUNPFIZMNS-UHFFFAOYSA-N
XLogP3.78
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
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2-[4-[5-(4-chlorophenoxy)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol
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ethyl 4-[[5-amino-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzoate
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CID 19140663
2-[4-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 23492715
2-[4-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140744
2-[4-[6-(2-bromoanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 70284092) is 2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2ncnc(Nc3ccccc3)c2Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is YHQXTUNPFIZMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c23-17-6-8-19(9-7-17)30-20-21(26-18-4-2-1-3-5-18)24-16-25-22(20)28-12-10-27(11-13-28)14-15-29/h1-9,16,29H,10-15H2,(H,24,25,26).
What are the key properties of 2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 425.92 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 70284092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).