N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C14H20F3N3O — CID 103150319

IUPACN-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(CCOCC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C14H20F3N3O/c1-2-18-13-10-5-3-4-6-11(10)19-12(20-13)7-8-21-9-14(15,16)17/h2-9H2,1H3,(H,18,19,20)
InChIKeyDPGUEINEOGONFH-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.91
Rot. Bonds6

About N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 103150319) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID103150319
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(CCOCC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C14H20F3N3O/c1-2-18-13-10-5-3-4-6-11(10)19-12(20-13)7-8-21-9-14(15,16)17/h2-9H2,1H3,(H,18,19,20)
InChIKeyDPGUEINEOGONFH-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271014
4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
2-{[6-Methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-2-quinazolinyl]amino}ethanol
CID 2941817
2,2-Difluoro-3-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 138019284
2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 171358995
2-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 23207871
2-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 53781841
6,6-Difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine
CID 59590602
2-(2-Methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 66969700
2-(2-Methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 66969701
6-Piperidin-4-yl-5-(1,1,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 68717547
2-[4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethan-1-amine
CID 71778219

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 103150319) is N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine is CCNc1nc(CCOCC(F)(F)F)nc2c1CCCC2.
What is the InChIKey of N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is DPGUEINEOGONFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-18-13-10-5-3-4-6-11(10)19-12(20-13)7-8-21-9-14(15,16)17/h2-9H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 103150319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).