4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide

C19H24N6O2S2 — CID 154807100

IUPAC4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1sc2nc(-c3cccnc3)nc(N3CCN(S(=O)(=O)N(C)C)CC3)c2c1C
InChIInChI=1S/C19H24N6O2S2/c1-13-14(2)28-19-16(13)18(21-17(22-19)15-6-5-7-20-12-15)24-8-10-25(11-9-24)29(26,27)23(3)4/h5-7,12H,8-11H2,1-4H3
InChIKeyUNGFNLMLQMRMAK-UHFFFAOYSA-N
MW432.58 g/mol
LogP2.30
Rot. Bonds4

About 4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide

4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 154807100) has the molecular formula C19H24N6O2S2 and a molecular weight of 432.58 g/mol. Its IUPAC name is 4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID154807100
Molecular FormulaC19H24N6O2S2
Molecular Weight432.58 g/mol
Exact Mass432.14
IUPAC Name4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1sc2nc(-c3cccnc3)nc(N3CCN(S(=O)(=O)N(C)C)CC3)c2c1C
InChIInChI=1S/C19H24N6O2S2/c1-13-14(2)28-19-16(13)18(21-17(22-19)15-6-5-7-20-12-15)24-8-10-25(11-9-24)29(26,27)23(3)4/h5-7,12H,8-11H2,1-4H3
InChIKeyUNGFNLMLQMRMAK-UHFFFAOYSA-N
XLogP2.30
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide (CID 154807100) is 4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide is Cc1sc2nc(-c3cccnc3)nc(N3CCN(S(=O)(=O)N(C)C)CC3)c2c1C.
What is the InChIKey of 4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is UNGFNLMLQMRMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S2/c1-13-14(2)28-19-16(13)18(21-17(22-19)15-6-5-7-20-12-15)24-8-10-25(11-9-24)29(26,27)23(3)4/h5-7,12H,8-11H2,1-4H3.
What are the key properties of 4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 432.58 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 154807100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).