2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide

C15H18N10OS2 — CID 138374054

IUPAC2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide
SMILESCc1cc(SCC(=O)Nn2cnnc2CSc2cc(C)nc(N)n2)nc(N)n1
InChIInChI=1S/C15H18N10OS2/c1-8-3-12(21-14(16)19-8)27-5-10-23-18-7-25(10)24-11(26)6-28-13-4-9(2)20-15(17)22-13/h3-4,7H,5-6H2,1-2H3,(H,24,26)(H2,16,19,21)(H2,17,20,22)
InChIKeySEWQBIWISPJAAX-UHFFFAOYSA-N
MW418.51 g/mol
LogP0.79
Rot. Bonds7

About 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide

2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide (PubChem CID 138374054) has the molecular formula C15H18N10OS2 and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide
PubChem CID138374054
Molecular FormulaC15H18N10OS2
Molecular Weight418.51 g/mol
Exact Mass418.11
IUPAC Name2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide
SMILESCc1cc(SCC(=O)Nn2cnnc2CSc2cc(C)nc(N)n2)nc(N)n1
InChIInChI=1S/C15H18N10OS2/c1-8-3-12(21-14(16)19-8)27-5-10-23-18-7-25(10)24-11(26)6-28-13-4-9(2)20-15(17)22-13/h3-4,7H,5-6H2,1-2H3,(H,24,26)(H2,16,19,21)(H2,17,20,22)
InChIKeySEWQBIWISPJAAX-UHFFFAOYSA-N
XLogP0.79
TPSA163.41 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.51
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide with MolForge

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Related Compounds

2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 117068723
methyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
CID 742811
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
CID 114235096
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 22768951
methyl 3-(2-amino-6-methylpyrimidin-4-yl)sulfanylpropanoate
CID 112724335
4-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
CID 113221003
4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882973
methyl 2-[1-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate
CID 114000538
methyl 2-(2,6-diaminopyrimidin-4-yl)sulfanylacetate
CID 80885528
ethyl 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanylacetate
CID 80922929
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
2-[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetohydrazide
CID 100590819

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide?
The IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide (CID 138374054) is 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide?
The canonical SMILES for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide is Cc1cc(SCC(=O)Nn2cnnc2CSc2cc(C)nc(N)n2)nc(N)n1.
What is the InChIKey of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide?
The InChIKey is SEWQBIWISPJAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N10OS2/c1-8-3-12(21-14(16)19-8)27-5-10-23-18-7-25(10)24-11(26)6-28-13-4-9(2)20-15(17)22-13/h3-4,7H,5-6H2,1-2H3,(H,24,26)(H2,16,19,21)(H2,17,20,22).
What are the key properties of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide?
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide has a molecular weight of 418.51 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide is sourced from PubChem (CID 138374054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).