N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane

C21H28N4S — CID 91532309

IUPACN-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
SMILESCC.Cc1cc2c(NC3CCN(Cc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C19H22N4S.C2H6/c1-14-11-17-18(20-13-21-19(17)24-14)22-16-7-9-23(10-8-16)12-15-5-3-2-4-6-15;1-2/h2-6,11,13,16H,7-10,12H2,1H3,(H,20,21,22);1-2H3
InChIKeySUNLETYCSXKNAL-UHFFFAOYSA-N
MW368.55 g/mol
LogP5.10
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane

N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane (PubChem CID 91532309) has the molecular formula C21H28N4S and a molecular weight of 368.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
PubChem CID91532309
Molecular FormulaC21H28N4S
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
SMILESCC.Cc1cc2c(NC3CCN(Cc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C19H22N4S.C2H6/c1-14-11-17-18(20-13-21-19(17)24-14)22-16-7-9-23(10-8-16)12-15-5-3-2-4-6-15;1-2/h2-6,11,13,16H,7-10,12H2,1H3,(H,20,21,22);1-2H3
InChIKeySUNLETYCSXKNAL-UHFFFAOYSA-N
XLogP5.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39085277
6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133408683
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 162366578
N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408749
1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 79110936
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 985393
3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol
CID 86296301
(Z)-but-2-enedioic acid;3-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N-methylbenzamide;molecular hydrogen
CID 158633783
(Z)-but-2-enoic acid;3-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 90724043
cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 133409423

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane (CID 91532309) is N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane is CC.Cc1cc2c(NC3CCN(Cc4ccccc4)CC3)ncnc2s1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane?
The InChIKey is SUNLETYCSXKNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S.C2H6/c1-14-11-17-18(20-13-21-19(17)24-14)22-16-7-9-23(10-8-16)12-15-5-3-2-4-6-15;1-2/h2-6,11,13,16H,7-10,12H2,1H3,(H,20,21,22);1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane?
N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane has a molecular weight of 368.55 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane is sourced from PubChem (CID 91532309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).