N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

C18H26N4OS — CID 3567886

IUPACN-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C
InChIInChI=1S/C18H26N4OS/c1-4-5-9-19-17(23)15-12(2)14-16(22-10-7-6-8-11-22)20-13(3)21-18(14)24-15/h4-11H2,1-3H3,(H,19,23)
InChIKeyQELZXRYWFVCYKY-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.83
Rot. Bonds5

About N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 3567886) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID3567886
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C
InChIInChI=1S/C18H26N4OS/c1-4-5-9-19-17(23)15-12(2)14-16(22-10-7-6-8-11-22)20-13(3)21-18(14)24-15/h4-11H2,1-3H3,(H,19,23)
InChIKeyQELZXRYWFVCYKY-UHFFFAOYSA-N
XLogP3.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 3567886) is N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is CCCCNC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C.
What is the InChIKey of N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QELZXRYWFVCYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-4-5-9-19-17(23)15-12(2)14-16(22-10-7-6-8-11-22)20-13(3)21-18(14)24-15/h4-11H2,1-3H3,(H,19,23).
What are the key properties of N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 3567886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).