6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine

C13H14FN3O2 — CID 115505231

IUPAC6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(-c2ccc(OC)cc2F)c1OC
InChIInChI=1S/C13H14FN3O2/c1-15-13-12(19-3)11(16-7-17-13)9-5-4-8(18-2)6-10(9)14/h4-7H,1-3H3,(H,15,16,17)
InChIKeyBDDKEJZZNXYOAF-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.34
Rot. Bonds4

About 6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine

6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine (PubChem CID 115505231) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine
PubChem CID115505231
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(-c2ccc(OC)cc2F)c1OC
InChIInChI=1S/C13H14FN3O2/c1-15-13-12(19-3)11(16-7-17-13)9-5-4-8(18-2)6-10(9)14/h4-7H,1-3H3,(H,15,16,17)
InChIKeyBDDKEJZZNXYOAF-UHFFFAOYSA-N
XLogP2.34
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-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

6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine
CID 115502976
3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine
CID 102753823
N-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 115505212
4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine
CID 115505187
5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82541782
5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80854900
methyl 4-fluoro-1-(2-fluoro-4-methoxyphenyl)isoquinoline-7-carboxylate
CID 67961573
6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 45275227
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 106520926
2-(2-fluoro-4-methoxyphenyl)-4-methylpyridin-3-amine
CID 114051155
4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 82822681

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine (CID 115505231) is 6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine is CNc1ncnc(-c2ccc(OC)cc2F)c1OC.
What is the InChIKey of 6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is BDDKEJZZNXYOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-15-13-12(19-3)11(16-7-17-13)9-5-4-8(18-2)6-10(9)14/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine?
6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 263.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115505231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).