N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine

C14H20F3N3O — CID 103476141

IUPACN,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(COCC(F)(F)F)ncc21
InChIInChI=1S/C14H20F3N3O/c1-13(2)4-10(18-3)9-6-19-12(20-11(9)5-13)7-21-8-14(15,16)17/h6,10,18H,4-5,7-8H2,1-3H3
InChIKeyMXYFUDLFLXEYDR-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.79
Rot. Bonds4

About N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine

N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 103476141) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound NameN,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID103476141
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(COCC(F)(F)F)ncc21
InChIInChI=1S/C14H20F3N3O/c1-13(2)4-10(18-3)9-6-19-12(20-11(9)5-13)7-21-8-14(15,16)17/h6,10,18H,4-5,7-8H2,1-3H3
InChIKeyMXYFUDLFLXEYDR-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72868715
2-(methoxymethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 115649780
N-(tert-butyl)-N'-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]urea
CID 45212697
(5S)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 25370578
(5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 25446996
(5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 42154866
N-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]-4,4,4-trifluorobutanamide
CID 45251824
(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 94133507
2-N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 97123918
N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide
CID 26409992
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,4,4-trifluorobutanamide
CID 26409994
2-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007698

Frequently Asked Questions

What is the IUPAC name of N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine (CID 103476141) is N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine is CNC1CC(C)(C)Cc2nc(COCC(F)(F)F)ncc21.
What is the InChIKey of N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is MXYFUDLFLXEYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-13(2)4-10(18-3)9-6-19-12(20-11(9)5-13)7-21-8-14(15,16)17/h6,10,18H,4-5,7-8H2,1-3H3.
What are the key properties of N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine?
N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 303.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,7-trimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 103476141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).