4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide

C18H24N4OS — CID 157398260

IUPAC4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2ncnc(N3CCC(C4CCCCC4)CC3)c2s1
InChIInChI=1S/C18H24N4OS/c19-17(23)15-10-14-16(24-15)18(21-11-20-14)22-8-6-13(7-9-22)12-4-2-1-3-5-12/h10-13H,1-9H2,(H2,19,23)
InChIKeyBMVKQMISLIARNV-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.59
Rot. Bonds3

About 4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide

4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 157398260) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID157398260
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2ncnc(N3CCC(C4CCCCC4)CC3)c2s1
InChIInChI=1S/C18H24N4OS/c19-17(23)15-10-14-16(24-15)18(21-11-20-14)22-8-6-13(7-9-22)12-4-2-1-3-5-12/h10-13H,1-9H2,(H2,19,23)
InChIKeyBMVKQMISLIARNV-UHFFFAOYSA-N
XLogP3.59
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide (CID 157398260) is 4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide is NC(=O)c1cc2ncnc(N3CCC(C4CCCCC4)CC3)c2s1.
What is the InChIKey of 4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is BMVKQMISLIARNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c19-17(23)15-10-14-16(24-15)18(21-11-20-14)22-8-6-13(7-9-22)12-4-2-1-3-5-12/h10-13H,1-9H2,(H2,19,23).
What are the key properties of 4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 157398260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).