4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine

C21H26N6O3S2 — CID 46180606

IUPAC4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cc3nc(-c4ccncc4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C21H26N6O3S2/c1-32(28,29)27-8-6-25(7-9-27)15-17-14-18-19(31-17)21(26-10-12-30-13-11-26)24-20(23-18)16-2-4-22-5-3-16/h2-5,14H,6-13,15H2,1H3
InChIKeyMTCQVCCBRHUPNZ-UHFFFAOYSA-N
MW474.61 g/mol
LogP1.67
Rot. Bonds5

About 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine

4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 46180606) has the molecular formula C21H26N6O3S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID46180606
Molecular FormulaC21H26N6O3S2
Molecular Weight474.61 g/mol
Exact Mass474.15
IUPAC Name4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cc3nc(-c4ccncc4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C21H26N6O3S2/c1-32(28,29)27-8-6-25(7-9-27)15-17-14-18-19(31-17)21(26-10-12-30-13-11-26)24-20(23-18)16-2-4-22-5-3-16/h2-5,14H,6-13,15H2,1H3
InChIKeyMTCQVCCBRHUPNZ-UHFFFAOYSA-N
XLogP1.67
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine (CID 46180606) is 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine is CS(=O)(=O)N1CCN(Cc2cc3nc(-c4ccncc4)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is MTCQVCCBRHUPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S2/c1-32(28,29)27-8-6-25(7-9-27)15-17-14-18-19(31-17)21(26-10-12-30-13-11-26)24-20(23-18)16-2-4-22-5-3-16/h2-5,14H,6-13,15H2,1H3.
What are the key properties of 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 474.61 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46180606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).