6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine

C9H17N5O3S — CID 80849425

IUPAC6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C9H17N5O3S/c1-9(2,18(4,15)16)5-11-7-12-6(10)13-8(14-7)17-3/h5H2,1-4H3,(H3,10,11,12,13,14)
InChIKeySIFZJYNDUIIVCJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.30
Rot. Bonds5

About 6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80849425) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID80849425
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C9H17N5O3S/c1-9(2,18(4,15)16)5-11-7-12-6(10)13-8(14-7)17-3/h5H2,1-4H3,(H3,10,11,12,13,14)
InChIKeySIFZJYNDUIIVCJ-UHFFFAOYSA-N
XLogP-0.30
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150060
6-methoxy-2-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772368
4-chloro-6-ethoxy-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazin-2-amine
CID 79555926
2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80844381
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 114143236
6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 80839887
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80929618
6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 71978665
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113411167
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80807450

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine (CID 80849425) is 6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCC(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SIFZJYNDUIIVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-9(2,18(4,15)16)5-11-7-12-6(10)13-8(14-7)17-3/h5H2,1-4H3,(H3,10,11,12,13,14).
What are the key properties of 6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 275.33 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80849425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).