3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one

C18H19N5O2S — CID 3470491

IUPAC3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H19N5O2S/c1-12-14-16(20-11-21(2)17(14)24)26-15(12)18(25)23-9-7-22(8-10-23)13-5-3-4-6-19-13/h3-6,11H,7-10H2,1-2H3
InChIKeyCTFODRBAZOKTGY-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.66
Rot. Bonds2

About 3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one

3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 3470491) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID3470491
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H19N5O2S/c1-12-14-16(20-11-21(2)17(14)24)26-15(12)18(25)23-9-7-22(8-10-23)13-5-3-4-6-19-13/h3-6,11H,7-10H2,1-2H3
InChIKeyCTFODRBAZOKTGY-UHFFFAOYSA-N
XLogP1.66
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one (CID 3470491) is 3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one is Cc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2ncn(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CTFODRBAZOKTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12-14-16(20-11-21(2)17(14)24)26-15(12)18(25)23-9-7-22(8-10-23)13-5-3-4-6-19-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one?
3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 369.45 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 3470491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).