2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine

C17H24N4O2S2 — CID 1466637

IUPAC2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCCS(=O)(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C17H24N4O2S2/c1-4-25(22,23)21-9-7-20(8-10-21)16-14-11(2)12(3)24-17(14)19-15(18-16)13-5-6-13/h13H,4-10H2,1-3H3
InChIKeyHGYVXZLDXJBZJO-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.66
Rot. Bonds4

About 2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine

2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 1466637) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID1466637
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCCS(=O)(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C17H24N4O2S2/c1-4-25(22,23)21-9-7-20(8-10-21)16-14-11(2)12(3)24-17(14)19-15(18-16)13-5-6-13/h13H,4-10H2,1-3H3
InChIKeyHGYVXZLDXJBZJO-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 1466637) is 2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine is CCS(=O)(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c23)CC1.
What is the InChIKey of 2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is HGYVXZLDXJBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-4-25(22,23)21-9-7-20(8-10-21)16-14-11(2)12(3)24-17(14)19-15(18-16)13-5-6-13/h13H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 380.54 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-ethylsulfonylpiperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 1466637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).