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

C14H21F2N3O — CID 103150318

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(CCOCC(F)F)nc2c1CCCC2
InChIInChI=1S/C14H21F2N3O/c1-2-17-14-10-5-3-4-6-11(10)18-13(19-14)7-8-20-9-12(15)16/h12H,2-9H2,1H3,(H,17,18,19)
InChIKeyNZDCJKHQXQMXSN-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.61
Rot. Bonds7

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

2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 103150318) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID103150318
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(CCOCC(F)F)nc2c1CCCC2
InChIInChI=1S/C14H21F2N3O/c1-2-17-14-10-5-3-4-6-11(10)18-13(19-14)7-8-20-9-12(15)16/h12H,2-9H2,1H3,(H,17,18,19)
InChIKeyNZDCJKHQXQMXSN-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.61
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 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 103150318) is 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCNc1nc(CCOCC(F)F)nc2c1CCCC2.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is NZDCJKHQXQMXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-2-17-14-10-5-3-4-6-11(10)18-13(19-14)7-8-20-9-12(15)16/h12H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 285.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 103150318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).