(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C18H20N6OS — CID 659974

IUPAC(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)N3CCN(c4ncccn4)CC3)sc2n1
InChIInChI=1S/C18H20N6OS/c1-11-10-12(2)22-16-13(11)14(19)15(26-16)17(25)23-6-8-24(9-7-23)18-20-4-3-5-21-18/h3-5,10H,6-9,19H2,1-2H3
InChIKeyNJLNRCAVUYXDCQ-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.25
Rot. Bonds2

About (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 659974) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID659974
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)N3CCN(c4ncccn4)CC3)sc2n1
InChIInChI=1S/C18H20N6OS/c1-11-10-12(2)22-16-13(11)14(19)15(26-16)17(25)23-6-8-24(9-7-23)18-20-4-3-5-21-18/h3-5,10H,6-9,19H2,1-2H3
InChIKeyNJLNRCAVUYXDCQ-UHFFFAOYSA-N
XLogP2.25
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 659974) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1cc(C)c2c(N)c(C(=O)N3CCN(c4ncccn4)CC3)sc2n1.
What is the InChIKey of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NJLNRCAVUYXDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-11-10-12(2)22-16-13(11)14(19)15(26-16)17(25)23-6-8-24(9-7-23)18-20-4-3-5-21-18/h3-5,10H,6-9,19H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 368.47 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 659974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).