N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide

C18H20N4OS — CID 9184743

IUPACN,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide
SMILESCc1nc(Nc2ccc(C(=O)N(C)C)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H20N4OS/c1-10-11(2)24-17-15(10)16(19-12(3)20-17)21-14-8-6-13(7-9-14)18(23)22(4)5/h6-9H,1-5H3,(H,19,20,21)
InChIKeySJHHYQHXHASECX-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.06
Rot. Bonds3

About N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide

N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide (PubChem CID 9184743) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide
PubChem CID9184743
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide
SMILESCc1nc(Nc2ccc(C(=O)N(C)C)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H20N4OS/c1-10-11(2)24-17-15(10)16(19-12(3)20-17)21-14-8-6-13(7-9-14)18(23)22(4)5/h6-9H,1-5H3,(H,19,20,21)
InChIKeySJHHYQHXHASECX-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide (CID 9184743) is N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide is Cc1nc(Nc2ccc(C(=O)N(C)C)cc2)c2c(C)c(C)sc2n1.
What is the InChIKey of N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide?
The InChIKey is SJHHYQHXHASECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-10-11(2)24-17-15(10)16(19-12(3)20-17)21-14-8-6-13(7-9-14)18(23)22(4)5/h6-9H,1-5H3,(H,19,20,21).
What are the key properties of N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide?
N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide has a molecular weight of 340.45 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 9184743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).