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

C22H27N5O3S2 — CID 46180607

IUPAC4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cc3nc(-c4ccccc4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C22H27N5O3S2/c1-32(28,29)27-9-7-25(8-10-27)16-18-15-19-20(31-18)22(26-11-13-30-14-12-26)24-21(23-19)17-5-3-2-4-6-17/h2-6,15H,7-14,16H2,1H3
InChIKeySQTKRVQOAMDAGJ-UHFFFAOYSA-N
MW473.62 g/mol
LogP2.27
Rot. Bonds5

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

4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 46180607) has the molecular formula C22H27N5O3S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID46180607
Molecular FormulaC22H27N5O3S2
Molecular Weight473.62 g/mol
Exact Mass473.16
IUPAC Name4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cc3nc(-c4ccccc4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C22H27N5O3S2/c1-32(28,29)27-9-7-25(8-10-27)16-18-15-19-20(31-18)22(26-11-13-30-14-12-26)24-21(23-19)17-5-3-2-4-6-17/h2-6,15H,7-14,16H2,1H3
InChIKeySQTKRVQOAMDAGJ-UHFFFAOYSA-N
XLogP2.27
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine (CID 46180607) is 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine is CS(=O)(=O)N1CCN(Cc2cc3nc(-c4ccccc4)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is SQTKRVQOAMDAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S2/c1-32(28,29)27-9-7-25(8-10-27)16-18-15-19-20(31-18)22(26-11-13-30-14-12-26)24-21(23-19)17-5-3-2-4-6-17/h2-6,15H,7-14,16H2,1H3.
What are the key properties of 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 473.62 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-phenylthieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46180607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).