2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine

C10H17N5O3S — CID 80822880

IUPAC2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H17N5O3S/c1-2-18-10-14-8(11)13-9(15-10)12-5-7-3-4-19(16,17)6-7/h7H,2-6H2,1H3,(H3,11,12,13,14,15)
InChIKeyFWURNELBBXAKQL-UHFFFAOYSA-N
MW287.35 g/mol
LogP-0.30
Rot. Bonds5

About 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine

2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80822880) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID80822880
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H17N5O3S/c1-2-18-10-14-8(11)13-9(15-10)12-5-7-3-4-19(16,17)6-7/h7H,2-6H2,1H3,(H3,11,12,13,14,15)
InChIKeyFWURNELBBXAKQL-UHFFFAOYSA-N
XLogP-0.30
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138618
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80796824
4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62858145
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
2-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine
CID 95138074
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-ethoxyaniline
CID 51566844
N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362481
4-N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80822562
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80908722
2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 83117873

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 80822880) is 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NCC2CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is FWURNELBBXAKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-2-18-10-14-8(11)13-9(15-10)12-5-7-3-4-19(16,17)6-7/h7H,2-6H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 287.35 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 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80822880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).