N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C15H19N3OS2 — CID 2373458

IUPACN-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCCCN(CC1CC1)C(=O)CSc1ncnc2sccc12
InChIInChI=1S/C15H19N3OS2/c1-2-6-18(8-11-3-4-11)13(19)9-21-15-12-5-7-20-14(12)16-10-17-15/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyBVQOVUVCWVBRGO-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.43
Rot. Bonds7

About N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 2373458) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID2373458
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC NameN-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCCCN(CC1CC1)C(=O)CSc1ncnc2sccc12
InChIInChI=1S/C15H19N3OS2/c1-2-6-18(8-11-3-4-11)13(19)9-21-15-12-5-7-20-14(12)16-10-17-15/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyBVQOVUVCWVBRGO-UHFFFAOYSA-N
XLogP3.43
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 2373458) is N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is CCCN(CC1CC1)C(=O)CSc1ncnc2sccc12.
What is the InChIKey of N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is BVQOVUVCWVBRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-2-6-18(8-11-3-4-11)13(19)9-21-15-12-5-7-20-14(12)16-10-17-15/h5,7,10-11H,2-4,6,8-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 321.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 2373458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).