5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine

C21H27N7O3S2 — CID 71811578

IUPAC5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc(N)nc4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C21H27N7O3S2/c1-33(29,30)28-6-4-26(5-7-28)13-16-14-32-20-18(15-2-3-17(22)23-12-15)24-21(25-19(16)20)27-8-10-31-11-9-27/h2-3,12,14H,4-11,13H2,1H3,(H2,22,23)
InChIKeyGYBFBRQWGRCSMB-UHFFFAOYSA-N
MW489.63 g/mol
LogP1.25
Rot. Bonds5

About 5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine

5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine (PubChem CID 71811578) has the molecular formula C21H27N7O3S2 and a molecular weight of 489.63 g/mol. Its IUPAC name is 5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine
PubChem CID71811578
Molecular FormulaC21H27N7O3S2
Molecular Weight489.63 g/mol
Exact Mass489.16
IUPAC Name5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc(N)nc4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C21H27N7O3S2/c1-33(29,30)28-6-4-26(5-7-28)13-16-14-32-20-18(15-2-3-17(22)23-12-15)24-21(25-19(16)20)27-8-10-31-11-9-27/h2-3,12,14H,4-11,13H2,1H3,(H2,22,23)
InChIKeyGYBFBRQWGRCSMB-UHFFFAOYSA-N
XLogP1.25
TPSA117.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.63
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine (CID 71811578) is 5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine is CS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc(N)nc4)nc(N4CCOCC4)nc23)CC1.
What is the InChIKey of 5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine?
The InChIKey is GYBFBRQWGRCSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O3S2/c1-33(29,30)28-6-4-26(5-7-28)13-16-14-32-20-18(15-2-3-17(22)23-12-15)24-21(25-19(16)20)27-8-10-31-11-9-27/h2-3,12,14H,4-11,13H2,1H3,(H2,22,23).
What are the key properties of 5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine?
5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine has a molecular weight of 489.63 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 71811578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).