N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H22N6O2S — CID 162521756

IUPACN,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILES[H]N=S(=O)(c1ccc(Cc2c(C)nc3ncnn3c2N(C)C)cc1)C1COC1
InChIInChI=1S/C18H22N6O2S/c1-12-16(17(23(2)3)24-18(22-12)20-11-21-24)8-13-4-6-14(7-5-13)27(19,25)15-9-26-10-15/h4-7,11,15,19H,8-10H2,1-3H3
InChIKeyUWCJZESIXHHULF-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.89
Rot. Bonds5

About N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162521756) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID162521756
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC NameN,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILES[H]N=S(=O)(c1ccc(Cc2c(C)nc3ncnn3c2N(C)C)cc1)C1COC1
InChIInChI=1S/C18H22N6O2S/c1-12-16(17(23(2)3)24-18(22-12)20-11-21-24)8-13-4-6-14(7-5-13)27(19,25)15-9-26-10-15/h4-7,11,15,19H,8-10H2,1-3H3
InChIKeyUWCJZESIXHHULF-UHFFFAOYSA-N
XLogP1.89
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 162521756) is N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is [H]N=S(=O)(c1ccc(Cc2c(C)nc3ncnn3c2N(C)C)cc1)C1COC1.
What is the InChIKey of N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UWCJZESIXHHULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-12-16(17(23(2)3)24-18(22-12)20-11-21-24)8-13-4-6-14(7-5-13)27(19,25)15-9-26-10-15/h4-7,11,15,19H,8-10H2,1-3H3.
What are the key properties of N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 386.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-6-[[4-(oxetan-3-ylsulfonimidoyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162521756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).