2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine

C14H13FN4O — CID 118312330

IUPAC2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine
SMILESNc1nc(OCC2=CC=NC3=CC=CC[C@H]23)ncc1F
InChIInChI=1S/C14H13FN4O/c15-11-7-18-14(19-13(11)16)20-8-9-5-6-17-12-4-2-1-3-10(9)12/h1-2,4-7,10H,3,8H2,(H2,16,18,19)/t10-/m1/s1
InChIKeyZXGPMZVSHJKYCA-SNVBAGLBSA-N
MW272.28 g/mol
LogP2.05
Rot. Bonds3

About 2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine

2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine (PubChem CID 118312330) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine
PubChem CID118312330
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine
SMILESNc1nc(OCC2=CC=NC3=CC=CC[C@H]23)ncc1F
InChIInChI=1S/C14H13FN4O/c15-11-7-18-14(19-13(11)16)20-8-9-5-6-17-12-4-2-1-3-10(9)12/h1-2,4-7,10H,3,8H2,(H2,16,18,19)/t10-/m1/s1
InChIKeyZXGPMZVSHJKYCA-SNVBAGLBSA-N
XLogP2.05
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-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 2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine (CID 118312330) is 2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine is Nc1nc(OCC2=CC=NC3=CC=CC[C@H]23)ncc1F.
What is the InChIKey of 2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine?
The InChIKey is ZXGPMZVSHJKYCA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13FN4O/c15-11-7-18-14(19-13(11)16)20-8-9-5-6-17-12-4-2-1-3-10(9)12/h1-2,4-7,10H,3,8H2,(H2,16,18,19)/t10-/m1/s1.
What are the key properties of 2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine?
2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine has a molecular weight of 272.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 118312330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).