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

C12H23N7O — CID 80838442

IUPAC2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C12H23N7O/c1-4-20-12-16-10(13)15-11(17-12)14-7-9-8-18(2)5-6-19(9)3/h9H,4-8H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyATPHAMNYBJJYES-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.49
Rot. Bonds5

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

2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80838442) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID80838442
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C12H23N7O/c1-4-20-12-16-10(13)15-11(17-12)14-7-9-8-18(2)5-6-19(9)3/h9H,4-8H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyATPHAMNYBJJYES-UHFFFAOYSA-N
XLogP-0.49
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80911433
4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138618
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80822880
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78954732
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66278571
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
CID 63897051
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816721
4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine
CID 55124369
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 80838442) is 2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NCC2CN(C)CCN2C)n1.
What is the InChIKey of 2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ATPHAMNYBJJYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-4-20-12-16-10(13)15-11(17-12)14-7-9-8-18(2)5-6-19(9)3/h9H,4-8H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 281.36 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80838442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).