N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

C14H16ClN5OS — CID 4875335

IUPACN-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESCC(NC(=O)CSc1nc(N)cc(N)n1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN5OS/c1-8(9-3-2-4-10(15)5-9)18-13(21)7-22-14-19-11(16)6-12(17)20-14/h2-6,8H,7H2,1H3,(H,18,21)(H4,16,17,19,20)
InChIKeyRYSGQXUMLBKGCM-UHFFFAOYSA-N
MW337.84 g/mol
LogP2.26
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (PubChem CID 4875335) has the molecular formula C14H16ClN5OS and a molecular weight of 337.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
PubChem CID4875335
Molecular FormulaC14H16ClN5OS
Molecular Weight337.84 g/mol
Exact Mass337.08
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESCC(NC(=O)CSc1nc(N)cc(N)n1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN5OS/c1-8(9-3-2-4-10(15)5-9)18-13(21)7-22-14-19-11(16)6-12(17)20-14/h2-6,8H,7H2,1H3,(H,18,21)(H4,16,17,19,20)
InChIKeyRYSGQXUMLBKGCM-UHFFFAOYSA-N
XLogP2.26
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 46562996
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42903441
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 16560439
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467431
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78765448
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7415935
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7737918
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[1-(3-chlorophenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 18082072
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529502
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7534203

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (CID 4875335) is N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is CC(NC(=O)CSc1nc(N)cc(N)n1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is RYSGQXUMLBKGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5OS/c1-8(9-3-2-4-10(15)5-9)18-13(21)7-22-14-19-11(16)6-12(17)20-14/h2-6,8H,7H2,1H3,(H,18,21)(H4,16,17,19,20).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 337.84 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 4875335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).