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

C25H32N6O2S — CID 3240273

IUPAC5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12
InChIInChI=1S/C25H32N6O2S/c1-19-21-23(31-12-10-30(11-13-31)20-6-3-2-4-7-20)27-18-28-25(21)34-22(19)24(32)26-8-5-9-29-14-16-33-17-15-29/h2-4,6-7,18H,5,8-17H2,1H3,(H,26,32)
InChIKeyDSKSINHOYSIXLY-UHFFFAOYSA-N
MW480.64 g/mol
LogP2.78
Rot. Bonds7

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

5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 3240273) has the molecular formula C25H32N6O2S and a molecular weight of 480.64 g/mol. Its IUPAC name is 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID3240273
Molecular FormulaC25H32N6O2S
Molecular Weight480.64 g/mol
Exact Mass480.23
IUPAC Name5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12
InChIInChI=1S/C25H32N6O2S/c1-19-21-23(31-12-10-30(11-13-31)20-6-3-2-4-7-20)27-18-28-25(21)34-22(19)24(32)26-8-5-9-29-14-16-33-17-15-29/h2-4,6-7,18H,5,8-17H2,1H3,(H,26,32)
InChIKeyDSKSINHOYSIXLY-UHFFFAOYSA-N
XLogP2.78
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 3240273) is 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12.
What is the InChIKey of 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DSKSINHOYSIXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2S/c1-19-21-23(31-12-10-30(11-13-31)20-6-3-2-4-7-20)27-18-28-25(21)34-22(19)24(32)26-8-5-9-29-14-16-33-17-15-29/h2-4,6-7,18H,5,8-17H2,1H3,(H,26,32).
What are the key properties of 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 480.64 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 3240273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).