[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine

C12H12FN3O — CID 82475463

IUPAC[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
SMILESCOc1ccc(-c2ccnc(CN)n2)cc1F
InChIInChI=1S/C12H12FN3O/c1-17-11-3-2-8(6-9(11)13)10-4-5-15-12(7-14)16-10/h2-6H,7,14H2,1H3
InChIKeyCGBUPORSVOCWCQ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.75
Rot. Bonds3

About [4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine

[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine (PubChem CID 82475463) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is [4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
PubChem CID82475463
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
SMILESCOc1ccc(-c2ccnc(CN)n2)cc1F
InChIInChI=1S/C12H12FN3O/c1-17-11-3-2-8(6-9(11)13)10-4-5-15-12(7-14)16-10/h2-6H,7,14H2,1H3
InChIKeyCGBUPORSVOCWCQ-UHFFFAOYSA-N
XLogP1.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine 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

[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
CID 82479798
2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol
CID 116902164
2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 96664973
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 116897723
[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]methanethiol
CID 116900340
N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278920
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]acetic acid
CID 116899794
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82473712
4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole
CID 103597527

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine?
The IUPAC name of [4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine (CID 82475463) is [4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine is COc1ccc(-c2ccnc(CN)n2)cc1F.
What is the InChIKey of [4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine?
The InChIKey is CGBUPORSVOCWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-11-3-2-8(6-9(11)13)10-4-5-15-12(7-14)16-10/h2-6H,7,14H2,1H3.
What are the key properties of [4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine?
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine has a molecular weight of 233.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 82475463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).