2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine

C19H13F3N4O — CID 134272727

IUPAC2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(-c2cc(N)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)ccc1F
InChIInChI=1S/C19H13F3N4O/c1-27-16-4-9(2-3-13(16)21)15-7-17(23)26-19(25-15)12-8-24-18-11(12)5-10(20)6-14(18)22/h2-8,24H,1H3,(H2,23,25,26)
InChIKeyKPENZIQHFSLNGV-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.30
Rot. Bonds3

About 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine

2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 134272727) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
PubChem CID134272727
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(-c2cc(N)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)ccc1F
InChIInChI=1S/C19H13F3N4O/c1-27-16-4-9(2-3-13(16)21)15-7-17(23)26-19(25-15)12-8-24-18-11(12)5-10(20)6-14(18)22/h2-8,24H,1H3,(H2,23,25,26)
InChIKeyKPENZIQHFSLNGV-UHFFFAOYSA-N
XLogP4.30
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine (CID 134272727) is 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine is COc1cc(-c2cc(N)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)ccc1F.
What is the InChIKey of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is KPENZIQHFSLNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c1-27-16-4-9(2-3-13(16)21)15-7-17(23)26-19(25-15)12-8-24-18-11(12)5-10(20)6-14(18)22/h2-8,24H,1H3,(H2,23,25,26).
What are the key properties of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine?
2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 370.33 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 134272727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).