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

C24H31N7O2S — CID 6616993

IUPAC5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12
InChIInChI=1S/C24H31N7O2S/c1-18-20-22(31-11-9-30(10-12-31)19-5-2-3-6-25-19)27-17-28-24(20)34-21(18)23(32)26-7-4-8-29-13-15-33-16-14-29/h2-3,5-6,17H,4,7-16H2,1H3,(H,26,32)
InChIKeyRQBTUHBGXQRQRE-UHFFFAOYSA-N
MW481.63 g/mol
LogP2.17
Rot. Bonds7

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

5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 6616993) has the molecular formula C24H31N7O2S and a molecular weight of 481.63 g/mol. Its IUPAC name is 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID6616993
Molecular FormulaC24H31N7O2S
Molecular Weight481.63 g/mol
Exact Mass481.23
IUPAC Name5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12
InChIInChI=1S/C24H31N7O2S/c1-18-20-22(31-11-9-30(10-12-31)19-5-2-3-6-25-19)27-17-28-24(20)34-21(18)23(32)26-7-4-8-29-13-15-33-16-14-29/h2-3,5-6,17H,4,7-16H2,1H3,(H,26,32)
InChIKeyRQBTUHBGXQRQRE-UHFFFAOYSA-N
XLogP2.17
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 6616993) is 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12.
What is the InChIKey of 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RQBTUHBGXQRQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2S/c1-18-20-22(31-11-9-30(10-12-31)19-5-2-3-6-25-19)27-17-28-24(20)34-21(18)23(32)26-7-4-8-29-13-15-33-16-14-29/h2-3,5-6,17H,4,7-16H2,1H3,(H,26,32).
What are the key properties of 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(3-morpholin-4-ylpropyl)-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 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 6616993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).