(2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone

C17H24N4OS — CID 71877160

IUPAC(2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone
SMILESCCc1nc(C)c2c(C)c(C(=O)N3CCN(C)CC3C)sc2n1
InChIInChI=1S/C17H24N4OS/c1-6-13-18-12(4)14-11(3)15(23-16(14)19-13)17(22)21-8-7-20(5)9-10(21)2/h10H,6-9H2,1-5H3
InChIKeyPDCNGEFWGNOFCW-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.65
Rot. Bonds2

About (2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone

(2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone (PubChem CID 71877160) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone
PubChem CID71877160
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone
SMILESCCc1nc(C)c2c(C)c(C(=O)N3CCN(C)CC3C)sc2n1
InChIInChI=1S/C17H24N4OS/c1-6-13-18-12(4)14-11(3)15(23-16(14)19-13)17(22)21-8-7-20(5)9-10(21)2/h10H,6-9H2,1-5H3
InChIKeyPDCNGEFWGNOFCW-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone (CID 71877160) is (2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone is CCc1nc(C)c2c(C)c(C(=O)N3CCN(C)CC3C)sc2n1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone?
The InChIKey is PDCNGEFWGNOFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-6-13-18-12(4)14-11(3)15(23-16(14)19-13)17(22)21-8-7-20(5)9-10(21)2/h10H,6-9H2,1-5H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone?
(2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone has a molecular weight of 332.47 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 71877160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).