2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine

C11H10FN3O — CID 107922532

IUPAC2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
SMILESCOc1cc(-c2ncc(N)cn2)ccc1F
InChIInChI=1S/C11H10FN3O/c1-16-10-4-7(2-3-9(10)12)11-14-5-8(13)6-15-11/h2-6H,13H2,1H3
InChIKeyCYVPGJPHMPLTHS-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.87
Rot. Bonds2

About 2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine

2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine (PubChem CID 107922532) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
PubChem CID107922532
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
SMILESCOc1cc(-c2ncc(N)cn2)ccc1F
InChIInChI=1S/C11H10FN3O/c1-16-10-4-7(2-3-9(10)12)11-14-5-8(13)6-15-11/h2-6H,13H2,1H3
InChIKeyCYVPGJPHMPLTHS-UHFFFAOYSA-N
XLogP1.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-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

2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922895
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
5-(aminomethyl)-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 114016280
4-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 114207171
5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 107922497
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107922852
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
ethyl 4-chloro-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59777590
2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107922821
5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922881
2-(4-chlorophenyl)pyrimidin-5-amine
CID 609457

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine (CID 107922532) is 2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine is COc1cc(-c2ncc(N)cn2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine?
The InChIKey is CYVPGJPHMPLTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-16-10-4-7(2-3-9(10)12)11-14-5-8(13)6-15-11/h2-6H,13H2,1H3.
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine?
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine has a molecular weight of 219.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine is sourced from PubChem (CID 107922532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).