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

C11H18ClN5OS — CID 141218777

IUPAC3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCSc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H18ClN5OS/c1-17(5-2-4-13)10(18)3-6-19-9-7-8(12)15-11(14)16-9/h7H,2-6,13H2,1H3,(H2,14,15,16)
InChIKeyLSVWSBFHOZITAF-UHFFFAOYSA-N
MW303.82 g/mol
LogP1.00
Rot. Bonds7

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

3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide (PubChem CID 141218777) has the molecular formula C11H18ClN5OS and a molecular weight of 303.82 g/mol. Its IUPAC name is 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide
PubChem CID141218777
Molecular FormulaC11H18ClN5OS
Molecular Weight303.82 g/mol
Exact Mass303.09
IUPAC Name3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCSc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H18ClN5OS/c1-17(5-2-4-13)10(18)3-6-19-9-7-8(12)15-11(14)16-9/h7H,2-6,13H2,1H3,(H2,14,15,16)
InChIKeyLSVWSBFHOZITAF-UHFFFAOYSA-N
XLogP1.00
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide?
The IUPAC name of 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide (CID 141218777) is 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide?
The canonical SMILES for 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide is CN(CCCN)C(=O)CCSc1cc(Cl)nc(N)n1.
What is the InChIKey of 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide?
The InChIKey is LSVWSBFHOZITAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5OS/c1-17(5-2-4-13)10(18)3-6-19-9-7-8(12)15-11(14)16-9/h7H,2-6,13H2,1H3,(H2,14,15,16).
What are the key properties of 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide?
3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide has a molecular weight of 303.82 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide is sourced from PubChem (CID 141218777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).