2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide

C14H15Cl2N5OS — CID 46562996

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CSc1nc(N)cc(N)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N5OS/c1-7(8-2-3-9(15)10(16)4-8)19-13(22)6-23-14-20-11(17)5-12(18)21-14/h2-5,7H,6H2,1H3,(H,19,22)(H4,17,18,20,21)
InChIKeyTXUKNVGNNKNPNO-UHFFFAOYSA-N
MW372.28 g/mol
LogP2.92
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide (PubChem CID 46562996) has the molecular formula C14H15Cl2N5OS and a molecular weight of 372.28 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
PubChem CID46562996
Molecular FormulaC14H15Cl2N5OS
Molecular Weight372.28 g/mol
Exact Mass371.04
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CSc1nc(N)cc(N)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N5OS/c1-7(8-2-3-9(15)10(16)4-8)19-13(22)6-23-14-20-11(17)5-12(18)21-14/h2-5,7H,6H2,1H3,(H,19,22)(H4,17,18,20,21)
InChIKeyTXUKNVGNNKNPNO-UHFFFAOYSA-N
XLogP2.92
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide (CID 46562996) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide is CC(NC(=O)CSc1nc(N)cc(N)n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is TXUKNVGNNKNPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5OS/c1-7(8-2-3-9(15)10(16)4-8)19-13(22)6-23-14-20-11(17)5-12(18)21-14/h2-5,7H,6H2,1H3,(H,19,22)(H4,17,18,20,21).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 372.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 46562996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).