4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine

C15H15FN4 — CID 16752480

IUPAC4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine
SMILESCC(C)n1cc(-c2ccnc(N)n2)c2cc(F)ccc21
InChIInChI=1S/C15H15FN4/c1-9(2)20-8-12(13-5-6-18-15(17)19-13)11-7-10(16)3-4-14(11)20/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyXWDXOZDSWQRZCH-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.40
Rot. Bonds2

About 4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine

4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine (PubChem CID 16752480) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine
PubChem CID16752480
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine
SMILESCC(C)n1cc(-c2ccnc(N)n2)c2cc(F)ccc21
InChIInChI=1S/C15H15FN4/c1-9(2)20-8-12(13-5-6-18-15(17)19-13)11-7-10(16)3-4-14(11)20/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyXWDXOZDSWQRZCH-UHFFFAOYSA-N
XLogP3.40
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
CID 67073877
4-[1-(2,4-difluorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine
CID 118737104
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
4-(1-ethylindol-3-yl)pyrimidin-2-amine
CID 16750666
4-N-[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]benzene-1,4-diamine
CID 89082685
3-(2-chloropyrimidin-4-yl)-5-fluoroindole-1-carboxylic acid
CID 87689952
ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 143753819
azane;4-methoxy-3-[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]aniline
CID 67325952
2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol
CID 117121050
(Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine
CID 145343643
3-(4-fluorophenyl)-1-propan-2-ylindole
CID 736229
2-(6-fluoro-1-methylindol-3-yl)pyridin-4-amine
CID 115114118

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine (CID 16752480) is 4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine is CC(C)n1cc(-c2ccnc(N)n2)c2cc(F)ccc21.
What is the InChIKey of 4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine?
The InChIKey is XWDXOZDSWQRZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-9(2)20-8-12(13-5-6-18-15(17)19-13)11-7-10(16)3-4-14(11)20/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine?
4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine has a molecular weight of 270.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 16752480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).