2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide

C12H15ClN4OS — CID 103321124

IUPAC2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(Cl)nc2sccc12
InChIInChI=1S/C12H15ClN4OS/c1-3-5-17(7-9(18)14-2)10-8-4-6-19-11(8)16-12(13)15-10/h4,6H,3,5,7H2,1-2H3,(H,14,18)
InChIKeyFCSVLTKATRDQJA-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.31
Rot. Bonds5

About 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide (PubChem CID 103321124) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
PubChem CID103321124
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(Cl)nc2sccc12
InChIInChI=1S/C12H15ClN4OS/c1-3-5-17(7-9(18)14-2)10-8-4-6-19-11(8)16-12(13)15-10/h4,6H,3,5,7H2,1-2H3,(H,14,18)
InChIKeyFCSVLTKATRDQJA-UHFFFAOYSA-N
XLogP2.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide (CID 103321124) is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1nc(Cl)nc2sccc12.
What is the InChIKey of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide?
The InChIKey is FCSVLTKATRDQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-3-5-17(7-9(18)14-2)10-8-4-6-19-11(8)16-12(13)15-10/h4,6H,3,5,7H2,1-2H3,(H,14,18).
What are the key properties of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide?
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide has a molecular weight of 298.80 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 103321124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).