N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C13H18F3N3 — CID 79965195

IUPACN-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C13H18F3N3/c1-2-17-12-9-5-3-4-6-10(9)18-11(19-12)7-8-13(14,15)16/h2-8H2,1H3,(H,17,18,19)
InChIKeyARNLBLWGCMQDKR-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.28
Rot. Bonds4

About N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 79965195) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID79965195
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C13H18F3N3/c1-2-17-12-9-5-3-4-6-10(9)18-11(19-12)7-8-13(14,15)16/h2-8H2,1H3,(H,17,18,19)
InChIKeyARNLBLWGCMQDKR-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 79965195) is N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CCNc1nc(CCC(F)(F)F)nc2c1CCCC2.
What is the InChIKey of N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is ARNLBLWGCMQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-2-17-12-9-5-3-4-6-10(9)18-11(19-12)7-8-13(14,15)16/h2-8H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 273.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 79965195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).