3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide

C10H15ClN4OS — CID 91520760

IUPAC3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)CCSc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H15ClN4OS/c1-2-4-13-8(16)3-5-17-9-6-7(11)14-10(12)15-9/h6H,2-5H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyAANYYBHDMSEZLU-UHFFFAOYSA-N
MW274.78 g/mol
LogP1.72
Rot. Bonds6

About 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide

3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide (PubChem CID 91520760) has the molecular formula C10H15ClN4OS and a molecular weight of 274.78 g/mol. Its IUPAC name is 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide
PubChem CID91520760
Molecular FormulaC10H15ClN4OS
Molecular Weight274.78 g/mol
Exact Mass274.07
IUPAC Name3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)CCSc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H15ClN4OS/c1-2-4-13-8(16)3-5-17-9-6-7(11)14-10(12)15-9/h6H,2-5H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyAANYYBHDMSEZLU-UHFFFAOYSA-N
XLogP1.72
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide?
The IUPAC name of 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide (CID 91520760) is 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide.
What is the SMILES notation for 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide?
The canonical SMILES for 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide is CCCNC(=O)CCSc1cc(Cl)nc(N)n1.
What is the InChIKey of 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide?
The InChIKey is AANYYBHDMSEZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4OS/c1-2-4-13-8(16)3-5-17-9-6-7(11)14-10(12)15-9/h6H,2-5H2,1H3,(H,13,16)(H2,12,14,15).
What are the key properties of 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide?
3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide has a molecular weight of 274.78 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide is sourced from PubChem (CID 91520760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).