5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine

C13H14FN3O — CID 113286019

IUPAC5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
SMILESCc1cccc(OCCNc2ncc(F)cn2)c1
InChIInChI=1S/C13H14FN3O/c1-10-3-2-4-12(7-10)18-6-5-15-13-16-8-11(14)9-17-13/h2-4,7-9H,5-6H2,1H3,(H,15,16,17)
InChIKeyDVLYWGRQUJDLNB-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.42
Rot. Bonds5

About 5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine

5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine (PubChem CID 113286019) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
PubChem CID113286019
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
SMILESCc1cccc(OCCNc2ncc(F)cn2)c1
InChIInChI=1S/C13H14FN3O/c1-10-3-2-4-12(7-10)18-6-5-15-13-16-8-11(14)9-17-13/h2-4,7-9H,5-6H2,1H3,(H,15,16,17)
InChIKeyDVLYWGRQUJDLNB-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-aminophenoxy)ethyl]-5-fluoropyrimidin-2-amine
CID 113432130
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine
CID 55012619
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 55012620
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
5-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,4-diamine
CID 83266428
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 64914980
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine (CID 113286019) is 5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine is Cc1cccc(OCCNc2ncc(F)cn2)c1.
What is the InChIKey of 5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine?
The InChIKey is DVLYWGRQUJDLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-10-3-2-4-12(7-10)18-6-5-15-13-16-8-11(14)9-17-13/h2-4,7-9H,5-6H2,1H3,(H,15,16,17).
What are the key properties of 5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine?
5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 113286019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).