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

C14H18N4OS — CID 118630788

IUPAC4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C14H18N4OS/c1-2-9-3-5-18(6-4-9)14-12-10(16-8-17-14)7-11(20-12)13(15)19/h7-9H,2-6H2,1H3,(H2,15,19)
InChIKeyWHJVDRKGUKXWFL-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.42
Rot. Bonds3

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

4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 118630788) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID118630788
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C14H18N4OS/c1-2-9-3-5-18(6-4-9)14-12-10(16-8-17-14)7-11(20-12)13(15)19/h7-9H,2-6H2,1H3,(H2,15,19)
InChIKeyWHJVDRKGUKXWFL-UHFFFAOYSA-N
XLogP2.42
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide (CID 118630788) is 4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide is CCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1.
What is the InChIKey of 4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is WHJVDRKGUKXWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-9-3-5-18(6-4-9)14-12-10(16-8-17-14)7-11(20-12)13(15)19/h7-9H,2-6H2,1H3,(H2,15,19).
What are the key properties of 4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118630788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).