2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide

C13H13Cl2N5OS — CID 27923574

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1
InChIInChI=1S/C13H13Cl2N5OS/c1-6-3-9(16)19-13(18-6)22-5-10(21)20-12-11(15)7(2)8(14)4-17-12/h3-4H,5H2,1-2H3,(H2,16,18,19)(H,17,20,21)
InChIKeyDTOQVPLTPVZLTN-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide (PubChem CID 27923574) has the molecular formula C13H13Cl2N5OS and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide
PubChem CID27923574
Molecular FormulaC13H13Cl2N5OS
Molecular Weight358.25 g/mol
Exact Mass357.02
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1
InChIInChI=1S/C13H13Cl2N5OS/c1-6-3-9(16)19-13(18-6)22-5-10(21)20-12-11(15)7(2)8(14)4-17-12/h3-4H,5H2,1-2H3,(H2,16,18,19)(H,17,20,21)
InChIKeyDTOQVPLTPVZLTN-UHFFFAOYSA-N
XLogP3.11
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2085859
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 40663127
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 7364423
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2545100
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide
CID 17450187
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide
CID 47110965
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 18130867
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 51190620
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 46574340

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide (CID 27923574) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide is Cc1cc(N)nc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide?
The InChIKey is DTOQVPLTPVZLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5OS/c1-6-3-9(16)19-13(18-6)22-5-10(21)20-12-11(15)7(2)8(14)4-17-12/h3-4H,5H2,1-2H3,(H2,16,18,19)(H,17,20,21).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide has a molecular weight of 358.25 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 27923574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).