3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C15H19F3N4O — CID 133460687

IUPAC3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1nc2c(c(NC3CCN(CC(F)(F)F)C3=O)n1)CCCC2
InChIInChI=1S/C15H19F3N4O/c1-9-19-11-5-3-2-4-10(11)13(20-9)21-12-6-7-22(14(12)23)8-15(16,17)18/h12H,2-8H2,1H3,(H,19,20,21)
InChIKeyHDXUGADLVNLNCR-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.24
Rot. Bonds3

About 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 133460687) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID133460687
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1nc2c(c(NC3CCN(CC(F)(F)F)C3=O)n1)CCCC2
InChIInChI=1S/C15H19F3N4O/c1-9-19-11-5-3-2-4-10(11)13(20-9)21-12-6-7-22(14(12)23)8-15(16,17)18/h12H,2-8H2,1H3,(H,19,20,21)
InChIKeyHDXUGADLVNLNCR-UHFFFAOYSA-N
XLogP2.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 24992735
US10093651, Example 20
CID 122632340
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015
8-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 50983075
N~1~-[rel-(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydro-2-quinazolinyl)-3-pyrrolidinyl]-N~2~-methylglycinamide dihydrochloride
CID 72870903
N-[1-(2-Amino-5,6,7,8-tetrahydroquinazolin-4-YL)pyrrolidin-3-YL]acetamide
CID 72888077
2-[2-(Dimethylamino)-5,6,7,8-tetrahydro-4-quinazolinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72897673
2-[4-(Trifluoromethyl)-5,6,7,8-tetrahydro-2-quinazolinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72931102
4,8-Dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 73439379
4-Methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110248555
2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide
CID 110260957
1-[2-[6-cyclopentyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110262230

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 133460687) is 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is Cc1nc2c(c(NC3CCN(CC(F)(F)F)C3=O)n1)CCCC2.
What is the InChIKey of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is HDXUGADLVNLNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-9-19-11-5-3-2-4-10(11)13(20-9)21-12-6-7-22(14(12)23)8-15(16,17)18/h12H,2-8H2,1H3,(H,19,20,21).
What are the key properties of 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 328.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 133460687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).