6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine

C8H14ClN5 — CID 130568307

IUPAC6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(C)c1nc(N)nc(C(C)Cl)n1
InChIInChI=1S/C8H14ClN5/c1-4-14(3)8-12-6(5(2)9)11-7(10)13-8/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyGJGOCZUGZRSDGB-UHFFFAOYSA-N
MW215.69 g/mol
LogP1.21
Rot. Bonds3

About 6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine

6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 130568307) has the molecular formula C8H14ClN5 and a molecular weight of 215.69 g/mol. Its IUPAC name is 6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID130568307
Molecular FormulaC8H14ClN5
Molecular Weight215.69 g/mol
Exact Mass215.09
IUPAC Name6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(C)c1nc(N)nc(C(C)Cl)n1
InChIInChI=1S/C8H14ClN5/c1-4-14(3)8-12-6(5(2)9)11-7(10)13-8/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyGJGOCZUGZRSDGB-UHFFFAOYSA-N
XLogP1.21
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.69
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-N-ethyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 59816813
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
2-N,4-N-diethyl-2-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 164998487
2-N-ethyl-4-N,4-N-dimethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 80774603
(2S)-3-[[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-ethylamino]-2-methylpropanenitrile
CID 98870035
6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine
CID 130561101
2-N-[2-[[4-chloro-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 89059466
6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34600416
4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784659
6-(1-chloroethyl)-2-N-(2-chloroprop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 130561089
3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 66277105
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile
CID 80811099

Frequently Asked Questions

What is the IUPAC name of 6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 130568307) is 6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine is CCN(C)c1nc(N)nc(C(C)Cl)n1.
What is the InChIKey of 6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GJGOCZUGZRSDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5/c1-4-14(3)8-12-6(5(2)9)11-7(10)13-8/h5H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 215.69 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloroethyl)-2-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130568307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).