4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile

C13H11FN4O — CID 82168405

IUPAC4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(CCOc2ccccc2F)nc1N
InChIInChI=1S/C13H11FN4O/c14-10-3-1-2-4-11(10)19-6-5-12-17-8-9(7-15)13(16)18-12/h1-4,8H,5-6H2,(H2,16,17,18)
InChIKeyYCEKDWQKFHUZDC-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.69
Rot. Bonds4

About 4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile

4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile (PubChem CID 82168405) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile
PubChem CID82168405
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(CCOc2ccccc2F)nc1N
InChIInChI=1S/C13H11FN4O/c14-10-3-1-2-4-11(10)19-6-5-12-17-8-9(7-15)13(16)18-12/h1-4,8H,5-6H2,(H2,16,17,18)
InChIKeyYCEKDWQKFHUZDC-UHFFFAOYSA-N
XLogP1.69
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile
CID 82168391
4-amino-2-[(2-bromophenoxy)methyl]pyrimidine-5-carbonitrile
CID 82168376
4-amino-2-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]pyrimidine-5-carbonitrile
CID 82168412
4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine
CID 82169669
4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437164
N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
CID 43824295
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
3-[2-(2-fluorophenoxy)ethyl]-1,2-oxazol-5-amine
CID 82080194
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
4-amino-2-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carbonitrile
CID 66065637
5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile
CID 133294688

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile (CID 82168405) is 4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile is N#Cc1cnc(CCOc2ccccc2F)nc1N.
What is the InChIKey of 4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile?
The InChIKey is YCEKDWQKFHUZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-10-3-1-2-4-11(10)19-6-5-12-17-8-9(7-15)13(16)18-12/h1-4,8H,5-6H2,(H2,16,17,18).
What are the key properties of 4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile?
4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile has a molecular weight of 258.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 82168405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).