N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C43H51F3N8S2 — CID 159308677

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCc1cc2c(NC3CCN(Cc4ccccc4C)CC3)ncnc2s1.Cc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1
InChIInChI=1S/C22H28N4S.C21H23F3N4S/c1-3-6-19-13-20-21(23-15-24-22(20)27-19)25-18-9-11-26(12-10-18)14-17-8-5-4-7-16(17)2;1-14-2-4-15(5-3-14)12-28-8-6-16(7-9-28)27-19-18-10-17(11-21(22,23)24)29-20(18)26-13-25-19/h4-5,7-8,13,15,18H,3,6,9-12,14H2,1-2H3,(H,23,24,25);2-5,10,13,16H,6-9,11-12H2,1H3,(H,25,26,27)
InChIKeyLCGFRHPTEAPEDK-UHFFFAOYSA-N
MW801.07 g/mol
LogP10.21
Rot. Bonds11

About N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 159308677) has the molecular formula C43H51F3N8S2 and a molecular weight of 801.07 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID159308677
Molecular FormulaC43H51F3N8S2
Molecular Weight801.07 g/mol
Exact Mass800.36
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCc1cc2c(NC3CCN(Cc4ccccc4C)CC3)ncnc2s1.Cc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1
InChIInChI=1S/C22H28N4S.C21H23F3N4S/c1-3-6-19-13-20-21(23-15-24-22(20)27-19)25-18-9-11-26(12-10-18)14-17-8-5-4-7-16(17)2;1-14-2-4-15(5-3-14)12-28-8-6-16(7-9-28)27-19-18-10-17(11-21(22,23)24)29-20(18)26-13-25-19/h4-5,7-8,13,15,18H,3,6,9-12,14H2,1-2H3,(H,23,24,25);2-5,10,13,16H,6-9,11-12H2,1H3,(H,25,26,27)
InChIKeyLCGFRHPTEAPEDK-UHFFFAOYSA-N
XLogP10.21
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.07
LogP ≤ 510.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 1536777
1-N-([1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 73053607
N-(1-benzylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 86296300
N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 90453198
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 2808597
2-(2-Isopropylphenyl)-N-(4-(pyridin-3-yl)benzyl)thieno[2,3-d]pyrimidin-4-amine
CID 60167815
1-N-[(1R,2S)-2-phenylcyclopropyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 155512517
N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine
CID 155514293
N-[(1R,2S)-2-phenylcyclopropyl]-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine
CID 155515963
1-N-[(1S,2R)-2-phenylcyclopropyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 155519027
N-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclohexyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 155542351
N-[(1S,2R)-2-phenylcyclopropyl]-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine
CID 155544104

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 159308677) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is CCCc1cc2c(NC3CCN(Cc4ccccc4C)CC3)ncnc2s1.Cc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LCGFRHPTEAPEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4S.C21H23F3N4S/c1-3-6-19-13-20-21(23-15-24-22(20)27-19)25-18-9-11-26(12-10-18)14-17-8-5-4-7-16(17)2;1-14-2-4-15(5-3-14)12-28-8-6-16(7-9-28)27-19-18-10-17(11-21(22,23)24)29-20(18)26-13-25-19/h4-5,7-8,13,15,18H,3,6,9-12,14H2,1-2H3,(H,23,24,25);2-5,10,13,16H,6-9,11-12H2,1H3,(H,25,26,27).
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 801.07 g/mol, XLogP of 10.21, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159308677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).