N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide

C21H26N4O2S — CID 46443321

IUPACN-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)N3CCC(NC(=O)C4CC4)CC3)c(C)c12
InChIInChI=1S/C21H26N4O2S/c1-11-16-12(2)22-18(13-3-4-13)24-20(16)28-17(11)21(27)25-9-7-15(8-10-25)23-19(26)14-5-6-14/h13-15H,3-10H2,1-2H3,(H,23,26)
InChIKeyAUPZKTWFXXEUIZ-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.32
Rot. Bonds4

About N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 46443321) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID46443321
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)N3CCC(NC(=O)C4CC4)CC3)c(C)c12
InChIInChI=1S/C21H26N4O2S/c1-11-16-12(2)22-18(13-3-4-13)24-20(16)28-17(11)21(27)25-9-7-15(8-10-25)23-19(26)14-5-6-14/h13-15H,3-10H2,1-2H3,(H,23,26)
InChIKeyAUPZKTWFXXEUIZ-UHFFFAOYSA-N
XLogP3.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide (CID 46443321) is N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide is Cc1nc(C2CC2)nc2sc(C(=O)N3CCC(NC(=O)C4CC4)CC3)c(C)c12.
What is the InChIKey of N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is AUPZKTWFXXEUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-11-16-12(2)22-18(13-3-4-13)24-20(16)28-17(11)21(27)25-9-7-15(8-10-25)23-19(26)14-5-6-14/h13-15H,3-10H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46443321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).