6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C8H12ClN5 — CID 3132066

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C8H12ClN5/c1-4-5-10-7-11-6(9)12-8(13-7)14(2)3/h4H,1,5H2,2-3H3,(H,10,11,12,13)
InChIKeyNEKXSUWNKQLIRQ-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.19
Rot. Bonds4

About 6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 3132066) has the molecular formula C8H12ClN5 and a molecular weight of 213.67 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID3132066
Molecular FormulaC8H12ClN5
Molecular Weight213.67 g/mol
Exact Mass213.08
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C8H12ClN5/c1-4-5-10-7-11-6(9)12-8(13-7)14(2)3/h4H,1,5H2,2-3H3,(H,10,11,12,13)
InChIKeyNEKXSUWNKQLIRQ-UHFFFAOYSA-N
XLogP1.19
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-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

6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 54353580
4-N-(2-but-3-enoxyethyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106405794
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106195710
6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 15729053
6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106197149
6-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62980138
6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 79557079
6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865096
6-chloro-4-N-(cyclohexylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864547
3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 66006832
6-chloro-2-N,2-N-dimethyl-4-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62862573

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 3132066) is 6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NEKXSUWNKQLIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5/c1-4-5-10-7-11-6(9)12-8(13-7)14(2)3/h4H,1,5H2,2-3H3,(H,10,11,12,13).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 213.67 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3132066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).