N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine

C23H26F3N5S — CID 138497668

IUPACN-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CC3CCN(CCc4ccccc4)C3C2)c2cc(CC(F)(F)F)sc2n1
InChIInChI=1S/C23H26F3N5S/c1-27-22-28-20(18-11-17(12-23(24,25)26)32-21(18)29-22)31-13-16-8-10-30(19(16)14-31)9-7-15-5-3-2-4-6-15/h2-6,11,16,19H,7-10,12-14H2,1H3,(H,27,28,29)
InChIKeyFSNRFFLQZGLISG-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.59
Rot. Bonds6

About N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine

N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 138497668) has the molecular formula C23H26F3N5S and a molecular weight of 461.56 g/mol. Its IUPAC name is N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID138497668
Molecular FormulaC23H26F3N5S
Molecular Weight461.56 g/mol
Exact Mass461.19
IUPAC NameN-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CC3CCN(CCc4ccccc4)C3C2)c2cc(CC(F)(F)F)sc2n1
InChIInChI=1S/C23H26F3N5S/c1-27-22-28-20(18-11-17(12-23(24,25)26)32-21(18)29-22)31-13-16-8-10-30(19(16)14-31)9-7-15-5-3-2-4-6-15/h2-6,11,16,19H,7-10,12-14H2,1H3,(H,27,28,29)
InChIKeyFSNRFFLQZGLISG-UHFFFAOYSA-N
XLogP4.59
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

4-(2-benzyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl)-N-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine
CID 138497714
N-[4-[[5-[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]methanesulfonamide
CID 138497717
4-(3,4-dimethylpiperidin-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103330512
5-[[(3aS,7aS)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]methyl]-N-methylpyridin-2-amine
CID 134364732
1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 103330689
4-[(3aR,7aS)-1-(benzenesulfonyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134364787
6-ethyl-N-methyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323888
4-[(5R)-7-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 139315065
4-[(4S)-4-methylazepan-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;phenylmethanamine
CID 142375232
4-(3,4-dimethylpyrrolidin-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103328825
4-[5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134364816
4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134352870

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine (CID 138497668) is N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine is CNc1nc(N2CC3CCN(CCc4ccccc4)C3C2)c2cc(CC(F)(F)F)sc2n1.
What is the InChIKey of N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is FSNRFFLQZGLISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5S/c1-27-22-28-20(18-11-17(12-23(24,25)26)32-21(18)29-22)31-13-16-8-10-30(19(16)14-31)9-7-15-5-3-2-4-6-15/h2-6,11,16,19H,7-10,12-14H2,1H3,(H,27,28,29).
What are the key properties of N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine?
N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 461.56 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 138497668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).