(3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone

C21H30N4OS — CID 3700092

IUPAC(3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone
SMILESCc1nc(N2CCCCC2)c2c(C)c(C(=O)N3CC(C)CC(C)C3)sc2n1
InChIInChI=1S/C21H30N4OS/c1-13-10-14(2)12-25(11-13)21(26)18-15(3)17-19(24-8-6-5-7-9-24)22-16(4)23-20(17)27-18/h13-14H,5-12H2,1-4H3
InChIKeyOCOIJTHFYYXYCB-UHFFFAOYSA-N
MW386.57 g/mol
LogP4.42
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone (PubChem CID 3700092) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone
PubChem CID3700092
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone
SMILESCc1nc(N2CCCCC2)c2c(C)c(C(=O)N3CC(C)CC(C)C3)sc2n1
InChIInChI=1S/C21H30N4OS/c1-13-10-14(2)12-25(11-13)21(26)18-15(3)17-19(24-8-6-5-7-9-24)22-16(4)23-20(17)27-18/h13-14H,5-12H2,1-4H3
InChIKeyOCOIJTHFYYXYCB-UHFFFAOYSA-N
XLogP4.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone (CID 3700092) is (3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone is Cc1nc(N2CCCCC2)c2c(C)c(C(=O)N3CC(C)CC(C)C3)sc2n1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone?
The InChIKey is OCOIJTHFYYXYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-13-10-14(2)12-25(11-13)21(26)18-15(3)17-19(24-8-6-5-7-9-24)22-16(4)23-20(17)27-18/h13-14H,5-12H2,1-4H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone has a molecular weight of 386.57 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 3700092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).