N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C24H27F3N4S — CID 155555069

IUPACN-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Cc1cc2c(NC3CCC(CN[C@H]4C[C@@H]4c4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C24H27F3N4S/c25-24(26,27)12-18-10-20-22(29-14-30-23(20)32-18)31-17-8-6-15(7-9-17)13-28-21-11-19(21)16-4-2-1-3-5-16/h1-5,10,14-15,17,19,21,28H,6-9,11-13H2,(H,29,30,31)/t15?,17?,19-,21+/m1/s1
InChIKeyBWWSOKMEUMJPCJ-XSYIAULNSA-N
MW460.57 g/mol
LogP5.91
Rot. Bonds7

About N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155555069) has the molecular formula C24H27F3N4S and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID155555069
Molecular FormulaC24H27F3N4S
Molecular Weight460.57 g/mol
Exact Mass460.19
IUPAC NameN-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Cc1cc2c(NC3CCC(CN[C@H]4C[C@@H]4c4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C24H27F3N4S/c25-24(26,27)12-18-10-20-22(29-14-30-23(20)32-18)31-17-8-6-15(7-9-17)13-28-21-11-19(21)16-4-2-1-3-5-16/h1-5,10,14-15,17,19,21,28H,6-9,11-13H2,(H,29,30,31)/t15?,17?,19-,21+/m1/s1
InChIKeyBWWSOKMEUMJPCJ-XSYIAULNSA-N
XLogP5.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 155555069) is N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)Cc1cc2c(NC3CCC(CN[C@H]4C[C@@H]4c4ccccc4)CC3)ncnc2s1.
What is the InChIKey of N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BWWSOKMEUMJPCJ-XSYIAULNSA-N. The full InChI is InChI=1S/C24H27F3N4S/c25-24(26,27)12-18-10-20-22(29-14-30-23(20)32-18)31-17-8-6-15(7-9-17)13-28-21-11-19(21)16-4-2-1-3-5-16/h1-5,10,14-15,17,19,21,28H,6-9,11-13H2,(H,29,30,31)/t15?,17?,19-,21+/m1/s1.
What are the key properties of N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 460.57 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155555069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).