4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine

C15H23FN4 — CID 82753176

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCC3CCCCC32)n1
InChIInChI=1S/C15H23FN4/c1-2-8-17-15-18-10-12(16)14(19-15)20-9-7-11-5-3-4-6-13(11)20/h10-11,13H,2-9H2,1H3,(H,17,18,19)
InChIKeyOYMOVNVPMDUDGQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.21
Rot. Bonds4

About 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 82753176) has the molecular formula C15H23FN4 and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID82753176
Molecular FormulaC15H23FN4
Molecular Weight278.37 g/mol
Exact Mass278.19
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCC3CCCCC32)n1
InChIInChI=1S/C15H23FN4/c1-2-8-17-15-18-10-12(16)14(19-15)20-9-7-11-5-3-4-6-13(11)20/h10-11,13H,2-9H2,1H3,(H,17,18,19)
InChIKeyOYMOVNVPMDUDGQ-UHFFFAOYSA-N
XLogP3.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (CID 82753176) is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(N2CCC3CCCCC32)n1.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is OYMOVNVPMDUDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-2-8-17-15-18-10-12(16)14(19-15)20-9-7-11-5-3-4-6-13(11)20/h10-11,13H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 278.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 82753176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).