N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine

C13H14FN3O — CID 114600378

IUPACN-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NCCc2cccc(F)c2)nc1
InChIInChI=1S/C13H14FN3O/c1-18-12-8-16-13(17-9-12)15-6-5-10-3-2-4-11(14)7-10/h2-4,7-9H,5-6H2,1H3,(H,15,16,17)
InChIKeyIIOIMSJRKUBCDP-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine

N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine (PubChem CID 114600378) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine
PubChem CID114600378
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NCCc2cccc(F)c2)nc1
InChIInChI=1S/C13H14FN3O/c1-18-12-8-16-13(17-9-12)15-6-5-10-3-2-4-11(14)7-10/h2-4,7-9H,5-6H2,1H3,(H,15,16,17)
InChIKeyIIOIMSJRKUBCDP-UHFFFAOYSA-N
XLogP2.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(3-fluorophenyl)ethyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 69185641
N-[(3-fluorophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802193
5-fluoro-4-N-[2-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80774383
2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 60697587
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80788298
3-N-(3-fluorophenyl)-5-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954201
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804
N-[2-(furan-2-yl)ethyl]-5-methoxypyrimidin-2-amine
CID 114600435
N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 43400460
N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine
CID 117224521
5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103738561

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine (CID 114600378) is N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine is COc1cnc(NCCc2cccc(F)c2)nc1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine?
The InChIKey is IIOIMSJRKUBCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-18-12-8-16-13(17-9-12)15-6-5-10-3-2-4-11(14)7-10/h2-4,7-9H,5-6H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine?
N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 114600378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).