2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine

C13H14FN3O2 — CID 107922852

IUPAC2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(F)c(OC)c2)n1
InChIInChI=1S/C13H14FN3O2/c1-18-7-9-6-12(15)17-13(16-9)8-3-4-10(14)11(5-8)19-2/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyVVIYZNUTFOYCCQ-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.02
Rot. Bonds4

About 2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine

2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 107922852) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID107922852
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(F)c(OC)c2)n1
InChIInChI=1S/C13H14FN3O2/c1-18-7-9-6-12(15)17-13(16-9)8-3-4-10(14)11(5-8)19-2/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyVVIYZNUTFOYCCQ-UHFFFAOYSA-N
XLogP2.02
TPSA70.26 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 82800331
2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 55062587
6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 62319679
2-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320412
6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096029
2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62319129
6-(methoxymethyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 62319493
2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 107923089
[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
CID 107923081
2-(4-fluoro-3-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136889663
2-(2,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62319145
2-(3,4-dimethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318946

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 107922852) is 2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(N)nc(-c2ccc(F)c(OC)c2)n1.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is VVIYZNUTFOYCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-18-7-9-6-12(15)17-13(16-9)8-3-4-10(14)11(5-8)19-2/h3-6H,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 263.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 107922852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).