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

C14H21FN4O — CID 155953106

IUPAC4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1nc2c(c(N3CCOC(CCF)C3)n1)CCCC2
InChIInChI=1S/C14H21FN4O/c15-6-5-10-9-19(7-8-20-10)13-11-3-1-2-4-12(11)17-14(16)18-13/h10H,1-9H2,(H2,16,17,18)
InChIKeyLEDUNAWJZXRFBT-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.50
Rot. Bonds3

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

4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 155953106) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID155953106
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1nc2c(c(N3CCOC(CCF)C3)n1)CCCC2
InChIInChI=1S/C14H21FN4O/c15-6-5-10-9-19(7-8-20-10)13-11-3-1-2-4-12(11)17-14(16)18-13/h10H,1-9H2,(H2,16,17,18)
InChIKeyLEDUNAWJZXRFBT-UHFFFAOYSA-N
XLogP1.50
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (CID 155953106) is 4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is Nc1nc2c(c(N3CCOC(CCF)C3)n1)CCCC2.
What is the InChIKey of 4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is LEDUNAWJZXRFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-6-5-10-9-19(7-8-20-10)13-11-3-1-2-4-12(11)17-14(16)18-13/h10H,1-9H2,(H2,16,17,18).
What are the key properties of 4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 155953106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).