1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol

C13H18F3N3O — CID 133462370

IUPAC1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol
SMILESCc1nc2c(c(N(C)CC(O)C(F)(F)F)n1)CCCC2
InChIInChI=1S/C13H18F3N3O/c1-8-17-10-6-4-3-5-9(10)12(18-8)19(2)7-11(20)13(14,15)16/h11,20H,3-7H2,1-2H3
InChIKeyBLMWDSPRUQFQFU-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.02
Rot. Bonds3

About 1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol (PubChem CID 133462370) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol
PubChem CID133462370
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol
SMILESCc1nc2c(c(N(C)CC(O)C(F)(F)F)n1)CCCC2
InChIInChI=1S/C13H18F3N3O/c1-8-17-10-6-4-3-5-9(10)12(18-8)19(2)7-11(20)13(14,15)16/h11,20H,3-7H2,1-2H3
InChIKeyBLMWDSPRUQFQFU-UHFFFAOYSA-N
XLogP2.02
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

2-{[6-Methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-2-quinazolinyl]amino}ethanol
CID 2941817
4-Methyl-2-morpholino-5,6,7,8-tetrahydroquinazoline
CID 1484754
1,1,1-trifluoro-3-[(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]-2-propanol dihydrochloride
CID 56904691
rac-(3S,4S)-4-(dimethylamino)-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-ol
CID 129621576
2,2-Difluoro-3-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 138019284
(2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide
CID 164636600
6,6-Difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine
CID 59590602
1-(4-Tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol
CID 117881788
[(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol
CID 166003461
1-[8,8-difluoro-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-quinazolin-4-yl]azetidin-3-ol
CID 168954040
1-(8,8-difluoro-2-methylsulfonyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-ol
CID 168954115
1-[8,8-difluoro-2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-quinazolin-4-yl]azetidin-3-ol
CID 169736655

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol (CID 133462370) is 1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol is Cc1nc2c(c(N(C)CC(O)C(F)(F)F)n1)CCCC2.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol?
The InChIKey is BLMWDSPRUQFQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8-17-10-6-4-3-5-9(10)12(18-8)19(2)7-11(20)13(14,15)16/h11,20H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol has a molecular weight of 289.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 133462370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).