2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide

C14H21N5OS — CID 103326326

IUPAC2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc(N)nc2sc(C)cc12
InChIInChI=1S/C14H21N5OS/c1-5-6-19(8-11(20)18(3)4)12-10-7-9(2)21-13(10)17-14(15)16-12/h7H,5-6,8H2,1-4H3,(H2,15,16,17)
InChIKeyOVKKHHBLEODTMK-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.89
Rot. Bonds5

About 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide

2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide (PubChem CID 103326326) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
PubChem CID103326326
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc(N)nc2sc(C)cc12
InChIInChI=1S/C14H21N5OS/c1-5-6-19(8-11(20)18(3)4)12-10-7-9(2)21-13(10)17-14(15)16-12/h7H,5-6,8H2,1-4H3,(H2,15,16,17)
InChIKeyOVKKHHBLEODTMK-UHFFFAOYSA-N
XLogP1.89
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide (CID 103326326) is 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1nc(N)nc2sc(C)cc12.
What is the InChIKey of 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide?
The InChIKey is OVKKHHBLEODTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-5-6-19(8-11(20)18(3)4)12-10-7-9(2)21-13(10)17-14(15)16-12/h7H,5-6,8H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide?
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide has a molecular weight of 307.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 103326326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).