[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone

C24H30N6OS — CID 6615572

IUPAC[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)N3CCCCC3C)sc2n1
InChIInChI=1S/C24H30N6OS/c1-16-8-5-7-11-30(16)24(31)21-17(2)20-22(26-18(3)27-23(20)32-21)29-14-12-28(13-15-29)19-9-4-6-10-25-19/h4,6,9-10,16H,5,7-8,11-15H2,1-3H3
InChIKeyHVHWFEMTIKZWGE-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.04
Rot. Bonds3

About [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone

[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 6615572) has the molecular formula C24H30N6OS and a molecular weight of 450.61 g/mol. Its IUPAC name is [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID6615572
Molecular FormulaC24H30N6OS
Molecular Weight450.61 g/mol
Exact Mass450.22
IUPAC Name[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)N3CCCCC3C)sc2n1
InChIInChI=1S/C24H30N6OS/c1-16-8-5-7-11-30(16)24(31)21-17(2)20-22(26-18(3)27-23(20)32-21)29-14-12-28(13-15-29)19-9-4-6-10-25-19/h4,6,9-10,16H,5,7-8,11-15H2,1-3H3
InChIKeyHVHWFEMTIKZWGE-UHFFFAOYSA-N
XLogP4.04
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone (CID 6615572) is [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone is Cc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)N3CCCCC3C)sc2n1.
What is the InChIKey of [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is HVHWFEMTIKZWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6OS/c1-16-8-5-7-11-30(16)24(31)21-17(2)20-22(26-18(3)27-23(20)32-21)29-14-12-28(13-15-29)19-9-4-6-10-25-19/h4,6,9-10,16H,5,7-8,11-15H2,1-3H3.
What are the key properties of [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone?
[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 450.61 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 6615572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).