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

C24H31N7O2S — CID 6617011

IUPAC2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)NCCN3CCOCC3)sc2n1
InChIInChI=1S/C24H31N7O2S/c1-17-20-22(31-11-9-30(10-12-31)19-5-3-4-6-25-19)27-18(2)28-24(20)34-21(17)23(32)26-7-8-29-13-15-33-16-14-29/h3-6H,7-16H2,1-2H3,(H,26,32)
InChIKeyJJYZHDGBOUAAAJ-UHFFFAOYSA-N
MW481.63 g/mol
LogP2.09
Rot. Bonds6

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

2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 6617011) has the molecular formula C24H31N7O2S and a molecular weight of 481.63 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID6617011
Molecular FormulaC24H31N7O2S
Molecular Weight481.63 g/mol
Exact Mass481.23
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)NCCN3CCOCC3)sc2n1
InChIInChI=1S/C24H31N7O2S/c1-17-20-22(31-11-9-30(10-12-31)19-5-3-4-6-25-19)27-18(2)28-24(20)34-21(17)23(32)26-7-8-29-13-15-33-16-14-29/h3-6H,7-16H2,1-2H3,(H,26,32)
InChIKeyJJYZHDGBOUAAAJ-UHFFFAOYSA-N
XLogP2.09
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 6617011) is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)NCCN3CCOCC3)sc2n1.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JJYZHDGBOUAAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2S/c1-17-20-22(31-11-9-30(10-12-31)19-5-3-4-6-25-19)27-18(2)28-24(20)34-21(17)23(32)26-7-8-29-13-15-33-16-14-29/h3-6H,7-16H2,1-2H3,(H,26,32).
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 481.63 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 6617011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).