2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide

C20H25N5OS — CID 166186006

IUPAC2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc(-c2cccnc2)nc2sc(C)c(C)c12
InChIInChI=1S/C20H25N5OS/c1-6-25(7-2)16(26)12-24(5)19-17-13(3)14(4)27-20(17)23-18(22-19)15-9-8-10-21-11-15/h8-11H,6-7,12H2,1-5H3
InChIKeyJYJPLJGFCLNHNG-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.67
Rot. Bonds6

About 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide

2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide (PubChem CID 166186006) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
PubChem CID166186006
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc(-c2cccnc2)nc2sc(C)c(C)c12
InChIInChI=1S/C20H25N5OS/c1-6-25(7-2)16(26)12-24(5)19-17-13(3)14(4)27-20(17)23-18(22-19)15-9-8-10-21-11-15/h8-11H,6-7,12H2,1-5H3
InChIKeyJYJPLJGFCLNHNG-UHFFFAOYSA-N
XLogP3.67
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide with MolForge

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Related Compounds

2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
CID 166237581
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol
CID 166190654
N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166328871
N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166243723
N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166225267
N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 27632112
2-methyl-3-[methyl-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]propanoic acid
CID 122064954
3-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 17410711
3-[methyl-(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 122059528
3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 122064846
5,6-dimethyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 17481821
4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 154807100

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide (CID 166186006) is 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1nc(-c2cccnc2)nc2sc(C)c(C)c12.
What is the InChIKey of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The InChIKey is JYJPLJGFCLNHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-6-25(7-2)16(26)12-24(5)19-17-13(3)14(4)27-20(17)23-18(22-19)15-9-8-10-21-11-15/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide has a molecular weight of 383.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 166186006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).