4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

C13H19FN4O — CID 155952172

IUPAC4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1nc2c(c(N3CCOC(CF)C3)n1)CCCC2
InChIInChI=1S/C13H19FN4O/c14-7-9-8-18(5-6-19-9)12-10-3-1-2-4-11(10)16-13(15)17-12/h9H,1-8H2,(H2,15,16,17)
InChIKeyDTRQYJPNGXFBTQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.11
Rot. Bonds2

About 4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 155952172) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID155952172
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1nc2c(c(N3CCOC(CF)C3)n1)CCCC2
InChIInChI=1S/C13H19FN4O/c14-7-9-8-18(5-6-19-9)12-10-3-1-2-4-11(10)16-13(15)17-12/h9H,1-8H2,(H2,15,16,17)
InChIKeyDTRQYJPNGXFBTQ-UHFFFAOYSA-N
XLogP1.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-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-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (CID 155952172) is 4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is Nc1nc2c(c(N3CCOC(CF)C3)n1)CCCC2.
What is the InChIKey of 4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is DTRQYJPNGXFBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c14-7-9-8-18(5-6-19-9)12-10-3-1-2-4-11(10)16-13(15)17-12/h9H,1-8H2,(H2,15,16,17).
What are the key properties of 4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 266.32 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 155952172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).