7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide

C24H31N7OS — CID 118553468

IUPAC7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1sc2cnc(Nc3ccc(CN4CCNCC4)cn3)nc2c1C1CCCC1
InChIInChI=1S/C24H31N7OS/c1-30(2)23(32)22-20(17-5-3-4-6-17)21-18(33-22)14-27-24(29-21)28-19-8-7-16(13-26-19)15-31-11-9-25-10-12-31/h7-8,13-14,17,25H,3-6,9-12,15H2,1-2H3,(H,26,27,28,29)
InChIKeyXTAXAXSEKIPHOA-UHFFFAOYSA-N
MW465.63 g/mol
LogP3.59
Rot. Bonds6

About 7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 118553468) has the molecular formula C24H31N7OS and a molecular weight of 465.63 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID118553468
Molecular FormulaC24H31N7OS
Molecular Weight465.63 g/mol
Exact Mass465.23
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1sc2cnc(Nc3ccc(CN4CCNCC4)cn3)nc2c1C1CCCC1
InChIInChI=1S/C24H31N7OS/c1-30(2)23(32)22-20(17-5-3-4-6-17)21-18(33-22)14-27-24(29-21)28-19-8-7-16(13-26-19)15-31-11-9-25-10-12-31/h7-8,13-14,17,25H,3-6,9-12,15H2,1-2H3,(H,26,27,28,29)
InChIKeyXTAXAXSEKIPHOA-UHFFFAOYSA-N
XLogP3.59
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.63
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide (CID 118553468) is 7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1sc2cnc(Nc3ccc(CN4CCNCC4)cn3)nc2c1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is XTAXAXSEKIPHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7OS/c1-30(2)23(32)22-20(17-5-3-4-6-17)21-18(33-22)14-27-24(29-21)28-19-8-7-16(13-26-19)15-31-11-9-25-10-12-31/h7-8,13-14,17,25H,3-6,9-12,15H2,1-2H3,(H,26,27,28,29).
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 465.63 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118553468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).