4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole

C15H14FN3 — CID 130177595

IUPAC4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole
SMILESCC(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1
InChIInChI=1S/C15H14FN3/c1-9(2)15-17-7-6-13(19-15)14-8-10-11(16)4-3-5-12(10)18-14/h3-9,18H,1-2H3
InChIKeyLWLMCIYTLKCRLO-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.89
Rot. Bonds2

About 4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole

4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole (PubChem CID 130177595) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole.

Molecular Properties

Compound Name4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole
PubChem CID130177595
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole
SMILESCC(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1
InChIInChI=1S/C15H14FN3/c1-9(2)15-17-7-6-13(19-15)14-8-10-11(16)4-3-5-12(10)18-14/h3-9,18H,1-2H3
InChIKeyLWLMCIYTLKCRLO-UHFFFAOYSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(6-methylpyrazin-2-yl)-1H-indole
CID 144766338
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985687
6-(4-fluoro-1H-indol-2-yl)-4-methyl-1H-pyridin-2-one
CID 144764054
4-fluoro-2-(propan-2-yloxymethyl)-1H-indole
CID 117173426
ethane;4-fluoro-2-methyl-1H-indole
CID 171088115
4-(4-chlorophenyl)-2-propan-2-ylpyrimidine
CID 67473578
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-4-amine
CID 137016959
4-fluoro-N-methyl-1H-indol-2-amine
CID 143863709
6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene
CID 144548383
[5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine
CID 82386365
2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
CID 116897877
4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide
CID 135963278

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole?
The IUPAC name of 4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole (CID 130177595) is 4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole.
What is the SMILES notation for 4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole?
The canonical SMILES for 4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole is CC(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.
What is the InChIKey of 4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole?
The InChIKey is LWLMCIYTLKCRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-9(2)15-17-7-6-13(19-15)14-8-10-11(16)4-3-5-12(10)18-14/h3-9,18H,1-2H3.
What are the key properties of 4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole?
4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole has a molecular weight of 255.30 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole is sourced from PubChem (CID 130177595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).