N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C14H18FN3O2 — CID 119112703

IUPACN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1cc(CCNC2=NCCCN2)c2c(c1)COCO2
InChIInChI=1S/C14H18FN3O2/c15-12-6-10(13-11(7-12)8-19-9-20-13)2-5-18-14-16-3-1-4-17-14/h6-7H,1-5,8-9H2,(H2,16,17,18)
InChIKeyUDRFMXYEAVLRFA-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.17
Rot. Bonds3

About N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 119112703) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID119112703
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1cc(CCNC2=NCCCN2)c2c(c1)COCO2
InChIInChI=1S/C14H18FN3O2/c15-12-6-10(13-11(7-12)8-19-9-20-13)2-5-18-14-16-3-1-4-17-14/h6-7H,1-5,8-9H2,(H2,16,17,18)
InChIKeyUDRFMXYEAVLRFA-UHFFFAOYSA-N
XLogP1.17
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-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 N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 119112703) is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Fc1cc(CCNC2=NCCCN2)c2c(c1)COCO2.
What is the InChIKey of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is UDRFMXYEAVLRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-12-6-10(13-11(7-12)8-19-9-20-13)2-5-18-14-16-3-1-4-17-14/h6-7H,1-5,8-9H2,(H2,16,17,18).
What are the key properties of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 279.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 119112703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).