2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C24H25N7OS — CID 6615502

IUPAC2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)NCc3ccccn3)sc2n1
InChIInChI=1S/C24H25N7OS/c1-16-20-22(31-13-11-30(12-14-31)19-8-4-6-10-26-19)28-17(2)29-24(20)33-21(16)23(32)27-15-18-7-3-5-9-25-18/h3-10H,11-15H2,1-2H3,(H,27,32)
InChIKeySXJVMDOMACUSIL-UHFFFAOYSA-N
MW459.58 g/mol
LogP3.35
Rot. Bonds5

About 2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 6615502) has the molecular formula C24H25N7OS and a molecular weight of 459.58 g/mol. Its IUPAC name is 2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID6615502
Molecular FormulaC24H25N7OS
Molecular Weight459.58 g/mol
Exact Mass459.18
IUPAC Name2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)NCc3ccccn3)sc2n1
InChIInChI=1S/C24H25N7OS/c1-16-20-22(31-13-11-30(12-14-31)19-8-4-6-10-26-19)28-17(2)29-24(20)33-21(16)23(32)27-15-18-7-3-5-9-25-18/h3-10H,11-15H2,1-2H3,(H,27,32)
InChIKeySXJVMDOMACUSIL-UHFFFAOYSA-N
XLogP3.35
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 6615502) is 2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)NCc3ccccn3)sc2n1.
What is the InChIKey of 2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SXJVMDOMACUSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7OS/c1-16-20-22(31-13-11-30(12-14-31)19-8-4-6-10-26-19)28-17(2)29-24(20)33-21(16)23(32)27-15-18-7-3-5-9-25-18/h3-10H,11-15H2,1-2H3,(H,27,32).
What are the key properties of 2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 459.58 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 6615502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).