2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine

C12H12FN3O — CID 55062587

IUPAC2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O/c1-17-7-10-6-11(14)16-12(15-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyBNVLIBCUPJRMEI-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.01
Rot. Bonds3

About 2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine

2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 55062587) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID55062587
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O/c1-17-7-10-6-11(14)16-12(15-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyBNVLIBCUPJRMEI-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 62319679
2-(3-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 82800331
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107922852
2-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320412
2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107281410
2-(4-fluorophenyl)-6-methoxypyrimidin-4-amine
CID 83864400
6-(methoxymethyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 62319493
2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62319129
6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 63554209
2-(2,4-dimethylphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62318956
2-(furan-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320056
2-(2,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62319145

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 55062587) is 2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(N)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is BNVLIBCUPJRMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-7-10-6-11(14)16-12(15-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H2,14,15,16).
What are the key properties of 2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 233.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 55062587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).