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

C19H22N4OS — CID 39081894

IUPACN-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCc1cc2c(NCC(=O)N(C)Cc3ccccc3)nc(C)nc2s1
InChIInChI=1S/C19H22N4OS/c1-4-15-10-16-18(21-13(2)22-19(16)25-15)20-11-17(24)23(3)12-14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3,(H,20,21,22)
InChIKeyIUFDMTSUEVBHMK-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.63
Rot. Bonds6

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

N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide (PubChem CID 39081894) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide
PubChem CID39081894
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCc1cc2c(NCC(=O)N(C)Cc3ccccc3)nc(C)nc2s1
InChIInChI=1S/C19H22N4OS/c1-4-15-10-16-18(21-13(2)22-19(16)25-15)20-11-17(24)23(3)12-14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3,(H,20,21,22)
InChIKeyIUFDMTSUEVBHMK-UHFFFAOYSA-N
XLogP3.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide (CID 39081894) is N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide is CCc1cc2c(NCC(=O)N(C)Cc3ccccc3)nc(C)nc2s1.
What is the InChIKey of N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide?
The InChIKey is IUFDMTSUEVBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-4-15-10-16-18(21-13(2)22-19(16)25-15)20-11-17(24)23(3)12-14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3,(H,20,21,22).
What are the key properties of N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide?
N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide has a molecular weight of 354.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide is sourced from PubChem (CID 39081894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).