2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide

C18H20N4OS — CID 39081926

IUPAC2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide
SMILESCCc1cc2c(NCC(=O)N(C)c3ccccc3)nc(C)nc2s1
InChIInChI=1S/C18H20N4OS/c1-4-14-10-15-17(20-12(2)21-18(15)24-14)19-11-16(23)22(3)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3,(H,19,20,21)
InChIKeyVLCPHNIEFWVZLD-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.64
Rot. Bonds5

About 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide

2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide (PubChem CID 39081926) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide
PubChem CID39081926
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide
SMILESCCc1cc2c(NCC(=O)N(C)c3ccccc3)nc(C)nc2s1
InChIInChI=1S/C18H20N4OS/c1-4-14-10-15-17(20-12(2)21-18(15)24-14)19-11-16(23)22(3)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3,(H,19,20,21)
InChIKeyVLCPHNIEFWVZLD-UHFFFAOYSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide (CID 39081926) is 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide is CCc1cc2c(NCC(=O)N(C)c3ccccc3)nc(C)nc2s1.
What is the InChIKey of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide?
The InChIKey is VLCPHNIEFWVZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-4-14-10-15-17(20-12(2)21-18(15)24-14)19-11-16(23)22(3)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide?
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide has a molecular weight of 340.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 39081926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).