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

C12H8F3N5 — CID 130341099

IUPAC2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine
SMILESC=C1NC(c2[nH]nc3c(F)cc(F)cc23)=NC(N)=C1F
InChIInChI=1S/C12H8F3N5/c1-4-8(15)11(16)18-12(17-4)10-6-2-5(13)3-7(14)9(6)19-20-10/h2-3H,1,16H2,(H,17,18)(H,19,20)
InChIKeyGJOHIDWHRLDAKL-UHFFFAOYSA-N
MW279.23 g/mol
LogP1.80
Rot. Bonds1

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

2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine (PubChem CID 130341099) has the molecular formula C12H8F3N5 and a molecular weight of 279.23 g/mol. Its IUPAC name is 2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine
PubChem CID130341099
Molecular FormulaC12H8F3N5
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine
SMILESC=C1NC(c2[nH]nc3c(F)cc(F)cc23)=NC(N)=C1F
InChIInChI=1S/C12H8F3N5/c1-4-8(15)11(16)18-12(17-4)10-6-2-5(13)3-7(14)9(6)19-20-10/h2-3H,1,16H2,(H,17,18)(H,19,20)
InChIKeyGJOHIDWHRLDAKL-UHFFFAOYSA-N
XLogP1.80
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine?
The IUPAC name of 2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine (CID 130341099) is 2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine.
What is the SMILES notation for 2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine?
The canonical SMILES for 2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine is C=C1NC(c2[nH]nc3c(F)cc(F)cc23)=NC(N)=C1F.
What is the InChIKey of 2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine?
The InChIKey is GJOHIDWHRLDAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5/c1-4-8(15)11(16)18-12(17-4)10-6-2-5(13)3-7(14)9(6)19-20-10/h2-3H,1,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine?
2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine has a molecular weight of 279.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-2H-indazol-3-yl)-5-fluoro-6-methylidene-1H-pyrimidin-4-amine is sourced from PubChem (CID 130341099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).