2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol

C22H26N6O2 — CID 19140732

IUPAC2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESNc1c(Nc2ccc(Oc3ccccc3)cc2)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C22H26N6O2/c23-20-21(24-16-25-22(20)28-12-10-27(11-13-28)14-15-29)26-17-6-8-19(9-7-17)30-18-4-2-1-3-5-18/h1-9,16,29H,10-15,23H2,(H,24,25,26)
InChIKeyPGSKGNRZILOVOQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.71
Rot. Bonds7

About 2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 19140732) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID19140732
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESNc1c(Nc2ccc(Oc3ccccc3)cc2)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C22H26N6O2/c23-20-21(24-16-25-22(20)28-12-10-27(11-13-28)14-15-29)26-17-6-8-19(9-7-17)30-18-4-2-1-3-5-18/h1-9,16,29H,10-15,23H2,(H,24,25,26)
InChIKeyPGSKGNRZILOVOQ-UHFFFAOYSA-N
XLogP2.71
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[[5-amino-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzoate
CID 19140626
2-[4-[6-anilino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 70284092
6-(4-benzylpiperazin-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19139295
2-[4-(5-amino-6-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19140663
2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140633
6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19143987
2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140604
6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19140566
2-[4-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140744
4-[[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 19138679
2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19140705
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 19140732) is 2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol is Nc1c(Nc2ccc(Oc3ccccc3)cc2)ncnc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is PGSKGNRZILOVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c23-20-21(24-16-25-22(20)28-12-10-27(11-13-28)14-15-29)26-17-6-8-19(9-7-17)30-18-4-2-1-3-5-18/h1-9,16,29H,10-15,23H2,(H,24,25,26).
What are the key properties of 2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 406.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 19140732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).