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

C11H10FN3O — CID 57445392

IUPAC5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2)cc1F
InChIInChI=1S/C11H10FN3O/c1-16-10-3-2-7(4-9(10)12)8-5-14-11(13)15-6-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyCXSLUBALBJQAED-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.87
Rot. Bonds2

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

5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 57445392) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
PubChem CID57445392
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2)cc1F
InChIInChI=1S/C11H10FN3O/c1-16-10-3-2-7(4-9(10)12)8-5-14-11(13)15-6-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyCXSLUBALBJQAED-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

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Related Compounds

1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 116977086
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
5-(6-methoxynaphthalen-2-yl)pyrimidin-2-amine
CID 122237679
4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085161
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine
CID 146249155
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577
2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 79079653
5-(3-fluoro-4-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556948
3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
CID 65096261
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine (CID 57445392) is 5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2cnc(N)nc2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is CXSLUBALBJQAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-16-10-3-2-7(4-9(10)12)8-5-14-11(13)15-6-8/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine?
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-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 5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 57445392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).