4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine

C13H21N7 — CID 80754298

IUPAC4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(C)c1nc(NCC)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7/c1-4-6-8-19(3)12-16-11(15-5-2)17-13(18-12)20-9-7-14-10-20/h7,9-10H,4-6,8H2,1-3H3,(H,15,16,17,18)
InChIKeyWKZXZSZFDQXRIZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.73
Rot. Bonds7

About 4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine

4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80754298) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80754298
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(C)c1nc(NCC)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7/c1-4-6-8-19(3)12-16-11(15-5-2)17-13(18-12)20-9-7-14-10-20/h7,9-10H,4-6,8H2,1-3H3,(H,15,16,17,18)
InChIKeyWKZXZSZFDQXRIZ-UHFFFAOYSA-N
XLogP1.73
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-butyl-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80754617
2-N,4-N-diethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80775772
2-N-ethyl-6-imidazol-1-yl-4-N-(3-methoxypropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80809214
2-N-ethyl-6-imidazol-1-yl-4-N-methyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80780584
4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80753902
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860
4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80819888
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324013
2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774484
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
4-hydrazinyl-6-imidazol-1-yl-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 80912687

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80754298) is 4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine is CCCCN(C)c1nc(NCC)nc(-n2ccnc2)n1.
What is the InChIKey of 4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WKZXZSZFDQXRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-4-6-8-19(3)12-16-11(15-5-2)17-13(18-12)20-9-7-14-10-20/h7,9-10H,4-6,8H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80754298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).