2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine

C17H16N8OS — CID 127030523

IUPAC2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine
SMILESCc1ncc(Cn2cc(CSc3nnc(-c4ccccc4)o3)nn2)c(N)n1
InChIInChI=1S/C17H16N8OS/c1-11-19-7-13(15(18)20-11)8-25-9-14(21-24-25)10-27-17-23-22-16(26-17)12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H2,18,19,20)
InChIKeyNVBBIWKHZWYDDF-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.35
Rot. Bonds6

About 2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine

2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine (PubChem CID 127030523) has the molecular formula C17H16N8OS and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine
PubChem CID127030523
Molecular FormulaC17H16N8OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine
SMILESCc1ncc(Cn2cc(CSc3nnc(-c4ccccc4)o3)nn2)c(N)n1
InChIInChI=1S/C17H16N8OS/c1-11-19-7-13(15(18)20-11)8-25-9-14(21-24-25)10-27-17-23-22-16(26-17)12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H2,18,19,20)
InChIKeyNVBBIWKHZWYDDF-UHFFFAOYSA-N
XLogP2.35
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

5-[[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
CID 127032643
5-[5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 127034399
[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methyl benzoate
CID 155532388
2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 71814576
2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine
CID 57393357
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17428582
2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 53495028
N-[3-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]propyl]-2-methoxybenzamide
CID 171349979
1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79531091
2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 171349864
2-(3,5-dimethylphenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859602

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine (CID 127030523) is 2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine is Cc1ncc(Cn2cc(CSc3nnc(-c4ccccc4)o3)nn2)c(N)n1.
What is the InChIKey of 2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine?
The InChIKey is NVBBIWKHZWYDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8OS/c1-11-19-7-13(15(18)20-11)8-25-9-14(21-24-25)10-27-17-23-22-16(26-17)12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H2,18,19,20).
What are the key properties of 2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine?
2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine has a molecular weight of 380.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 127030523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).