[4-(4-phenoxyanilino)pyrimidin-2-yl]methanol

C17H15N3O2 — CID 175988564

IUPAC[4-(4-phenoxyanilino)pyrimidin-2-yl]methanol
SMILESOCc1nccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C17H15N3O2/c21-12-17-18-11-10-16(20-17)19-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-11,21H,12H2,(H,18,19,20)
InChIKeyKFEIYFGUGUDOSF-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.50
Rot. Bonds5

About [4-(4-phenoxyanilino)pyrimidin-2-yl]methanol

[4-(4-phenoxyanilino)pyrimidin-2-yl]methanol (PubChem CID 175988564) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is [4-(4-phenoxyanilino)pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-phenoxyanilino)pyrimidin-2-yl]methanol
PubChem CID175988564
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name[4-(4-phenoxyanilino)pyrimidin-2-yl]methanol
SMILESOCc1nccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C17H15N3O2/c21-12-17-18-11-10-16(20-17)19-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-11,21H,12H2,(H,18,19,20)
InChIKeyKFEIYFGUGUDOSF-UHFFFAOYSA-N
XLogP3.50
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 170619915
[4-(4-phenoxyanilino)pyrimidin-2-yl]methyl N,N-dimethylcarbamimidate
CID 177284291
2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112899230
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553
2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112902142
1-[4-[[2-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905673
4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119
2-N-[2-(dimethylamino)ethyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887236
6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine
CID 63960879
2-N-(4-phenoxyphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882615
4-N-(2-methylpropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883295

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenoxyanilino)pyrimidin-2-yl]methanol?
The IUPAC name of [4-(4-phenoxyanilino)pyrimidin-2-yl]methanol (CID 175988564) is [4-(4-phenoxyanilino)pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(4-phenoxyanilino)pyrimidin-2-yl]methanol?
The canonical SMILES for [4-(4-phenoxyanilino)pyrimidin-2-yl]methanol is OCc1nccc(Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of [4-(4-phenoxyanilino)pyrimidin-2-yl]methanol?
The InChIKey is KFEIYFGUGUDOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-12-17-18-11-10-16(20-17)19-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-11,21H,12H2,(H,18,19,20).
What are the key properties of [4-(4-phenoxyanilino)pyrimidin-2-yl]methanol?
[4-(4-phenoxyanilino)pyrimidin-2-yl]methanol has a molecular weight of 293.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenoxyanilino)pyrimidin-2-yl]methanol is sourced from PubChem (CID 175988564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).