6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine

C7H13ClN6 — CID 80770653

IUPAC6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H13ClN6/c1-14(2)4-3-10-7-12-5(8)11-6(9)13-7/h3-4H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyHSTZVADCNHSOSJ-UHFFFAOYSA-N
MW216.68 g/mol
LogP0.08
Rot. Bonds4

About 6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80770653) has the molecular formula C7H13ClN6 and a molecular weight of 216.68 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80770653
Molecular FormulaC7H13ClN6
Molecular Weight216.68 g/mol
Exact Mass216.09
IUPAC Name6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H13ClN6/c1-14(2)4-3-10-7-12-5(8)11-6(9)13-7/h3-4H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyHSTZVADCNHSOSJ-UHFFFAOYSA-N
XLogP0.08
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
N-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 62869366
2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769992
6-chloro-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 118444193
6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 107855348
6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80849210
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62869585
6-chloro-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 105420861
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819787
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine (CID 80770653) is 6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine is CN(C)CCNc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is HSTZVADCNHSOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN6/c1-14(2)4-3-10-7-12-5(8)11-6(9)13-7/h3-4H2,1-2H3,(H3,9,10,11,12,13).
What are the key properties of 6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 216.68 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80770653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).