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

C14H21FN4 — CID 82752013

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCC3CCCCC32)n1
InChIInChI=1S/C14H21FN4/c1-2-16-14-17-9-11(15)13(18-14)19-8-7-10-5-3-4-6-12(10)19/h9-10,12H,2-8H2,1H3,(H,16,17,18)
InChIKeyOUANFCLAJHVHQD-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.82
Rot. Bonds3

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

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 82752013) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID82752013
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCC3CCCCC32)n1
InChIInChI=1S/C14H21FN4/c1-2-16-14-17-9-11(15)13(18-14)19-8-7-10-5-3-4-6-12(10)19/h9-10,12H,2-8H2,1H3,(H,16,17,18)
InChIKeyOUANFCLAJHVHQD-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine (CID 82752013) is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(N2CCC3CCCCC32)n1.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is OUANFCLAJHVHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c1-2-16-14-17-9-11(15)13(18-14)19-8-7-10-5-3-4-6-12(10)19/h9-10,12H,2-8H2,1H3,(H,16,17,18).
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.82, 3 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)-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 82752013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).