4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol

C14H15ClFN3O — CID 11011889

IUPAC4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCC(F)c1ncnc(NCCc2ccc(O)cc2)c1Cl
InChIInChI=1S/C14H15ClFN3O/c1-9(16)13-12(15)14(19-8-18-13)17-7-6-10-2-4-11(20)5-3-10/h2-5,8-9,20H,6-7H2,1H3,(H,17,18,19)
InChIKeyHUMCOCGAZZDRTG-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.52
Rot. Bonds5

About 4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 11011889) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID11011889
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCC(F)c1ncnc(NCCc2ccc(O)cc2)c1Cl
InChIInChI=1S/C14H15ClFN3O/c1-9(16)13-12(15)14(19-8-18-13)17-7-6-10-2-4-11(20)5-3-10/h2-5,8-9,20H,6-7H2,1H3,(H,17,18,19)
InChIKeyHUMCOCGAZZDRTG-UHFFFAOYSA-N
XLogP3.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(5-Amino-6-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 2037850
7-[1-[(5-Chloro-6-ethyl-pyrimidin-4-yl)amino]ethyl]tetralin-6-ol
CID 16076202
4-(2-(6-Chloroquinazolin-4-ylamino)ethyl)phenol
CID 23631972
4-[4-(4-Chlorophenyl)-2-pyrimidinyl]benzenol
CID 1475109
4-[4-[[(1R)-2-[[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]amino]butyl]phenol
CID 71602693
4-{2-[(2-Amino-6-chloropyrimidin-4-yl)amino]ethyl}phenol
CID 1484275
Flufenerim
CID 11079009
4-(2-(6-Fluoroquinazolin-4-ylamino)ethyl)phenol
CID 24742056
Diflumetorim
CID 15390131
3-Methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol
CID 135894589
1-(4,6-Dimethylpyrimidin-2-yl)-3-[2-(4-hydroxyphenyl)ethyl]guanidine
CID 3013236
4-(2-{[1-(2-Methyl-6-propylpyrimidin-4-YL)piperidin-4-YL]amino}ethyl)phenol
CID 72901600

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol (CID 11011889) is 4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol is CC(F)c1ncnc(NCCc2ccc(O)cc2)c1Cl.
What is the InChIKey of 4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is HUMCOCGAZZDRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-9(16)13-12(15)14(19-8-18-13)17-7-6-10-2-4-11(20)5-3-10/h2-5,8-9,20H,6-7H2,1H3,(H,17,18,19).
What are the key properties of 4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 295.75 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 11011889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).