2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide

C18H26N4OS — CID 71654993

IUPAC2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCC1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C18H26N4OS/c1-18(2,3)17(23)19-8-4-13-5-9-22(10-6-13)16-15-14(7-11-24-15)20-12-21-16/h7,11-13H,4-6,8-10H2,1-3H3,(H,19,23)
InChIKeyJGOJNINFLAGXME-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.46
Rot. Bonds4

About 2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide (PubChem CID 71654993) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide
PubChem CID71654993
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCC1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C18H26N4OS/c1-18(2,3)17(23)19-8-4-13-5-9-22(10-6-13)16-15-14(7-11-24-15)20-12-21-16/h7,11-13H,4-6,8-10H2,1-3H3,(H,19,23)
InChIKeyJGOJNINFLAGXME-UHFFFAOYSA-N
XLogP3.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide (CID 71654993) is 2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide is CC(C)(C)C(=O)NCCC1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide?
The InChIKey is JGOJNINFLAGXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-18(2,3)17(23)19-8-4-13-5-9-22(10-6-13)16-15-14(7-11-24-15)20-12-21-16/h7,11-13H,4-6,8-10H2,1-3H3,(H,19,23).
What are the key properties of 2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide has a molecular weight of 346.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethyl]propanamide is sourced from PubChem (CID 71654993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).