N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

C19H22N4S — CID 2808818

IUPACN-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC3CCN(Cc4ccccc4)CC3)ncnc12
InChIInChI=1S/C19H22N4S/c1-14-12-24-18-17(14)20-13-21-19(18)22-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,20,21,22)
InChIKeyIIXBHKOPEYTHQC-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.08
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 2808818) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID2808818
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC3CCN(Cc4ccccc4)CC3)ncnc12
InChIInChI=1S/C19H22N4S/c1-14-12-24-18-17(14)20-13-21-19(18)22-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,20,21,22)
InChIKeyIIXBHKOPEYTHQC-UHFFFAOYSA-N
XLogP4.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
4-(Piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 2760428
7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CID 695484
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
Benzothieno[3,2-d]pyrimidine deriv. 52
CID 5328400
N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamine
CID 11499583
N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083906
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)ethyl]-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 25263294
N,N-diethyl-N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 1608673

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 2808818) is N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NC3CCN(Cc4ccccc4)CC3)ncnc12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is IIXBHKOPEYTHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-14-12-24-18-17(14)20-13-21-19(18)22-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,20,21,22).
What are the key properties of N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 338.48 g/mol, XLogP of 4.08, 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)-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 2808818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).