2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide

C12H15ClN4OS — CID 62187940

IUPAC2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C12H15ClN4OS/c1-7(2)17(5-9(14)18)6-10-15-11(13)8-3-4-19-12(8)16-10/h3-4,7H,5-6H2,1-2H3,(H2,14,18)
InChIKeySDCNZCKNJJHOKU-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.04
Rot. Bonds5

About 2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide

2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide (PubChem CID 62187940) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide
PubChem CID62187940
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C12H15ClN4OS/c1-7(2)17(5-9(14)18)6-10-15-11(13)8-3-4-19-12(8)16-10/h3-4,7H,5-6H2,1-2H3,(H2,14,18)
InChIKeySDCNZCKNJJHOKU-UHFFFAOYSA-N
XLogP2.04
TPSA72.11 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide (CID 62187940) is 2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)Cc1nc(Cl)c2ccsc2n1.
What is the InChIKey of 2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide?
The InChIKey is SDCNZCKNJJHOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-7(2)17(5-9(14)18)6-10-15-11(13)8-3-4-19-12(8)16-10/h3-4,7H,5-6H2,1-2H3,(H2,14,18).
What are the key properties of 2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide?
2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide has a molecular weight of 298.80 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 62187940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).