5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine

C23H30N6O3S2 — CID 24947233

IUPAC5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
SMILESCc1c(CN2CCC(S(C)(=O)=O)CC2)sc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C23H30N6O3S2/c1-15-18(14-28-7-5-17(6-8-28)34(2,30)31)33-21-20(15)26-22(16-3-4-19(24)25-13-16)27-23(21)29-9-11-32-12-10-29/h3-4,13,17H,5-12,14H2,1-2H3,(H2,24,25)
InChIKeyDYGSZXAXESBXSQ-UHFFFAOYSA-N
MW502.67 g/mol
LogP2.49
Rot. Bonds5

About 5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine

5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine (PubChem CID 24947233) has the molecular formula C23H30N6O3S2 and a molecular weight of 502.67 g/mol. Its IUPAC name is 5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
PubChem CID24947233
Molecular FormulaC23H30N6O3S2
Molecular Weight502.67 g/mol
Exact Mass502.18
IUPAC Name5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
SMILESCc1c(CN2CCC(S(C)(=O)=O)CC2)sc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C23H30N6O3S2/c1-15-18(14-28-7-5-17(6-8-28)34(2,30)31)33-21-20(15)26-22(16-3-4-19(24)25-13-16)27-23(21)29-9-11-32-12-10-29/h3-4,13,17H,5-12,14H2,1-2H3,(H2,24,25)
InChIKeyDYGSZXAXESBXSQ-UHFFFAOYSA-N
XLogP2.49
TPSA114.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.67
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of 5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine (CID 24947233) is 5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine is Cc1c(CN2CCC(S(C)(=O)=O)CC2)sc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12.
What is the InChIKey of 5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The InChIKey is DYGSZXAXESBXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3S2/c1-15-18(14-28-7-5-17(6-8-28)34(2,30)31)33-21-20(15)26-22(16-3-4-19(24)25-13-16)27-23(21)29-9-11-32-12-10-29/h3-4,13,17H,5-12,14H2,1-2H3,(H2,24,25).
What are the key properties of 5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine has a molecular weight of 502.67 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 24947233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).