4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C9H14ClN5 — CID 106195710

IUPAC4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESC=CC(C)Nc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H14ClN5/c1-5-6(2)11-8-12-7(10)13-9(14-8)15(3)4/h5-6H,1H2,2-4H3,(H,11,12,13,14)
InChIKeyJAEOYWDJMHLNCZ-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.58
Rot. Bonds4

About 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 106195710) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID106195710
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESC=CC(C)Nc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H14ClN5/c1-5-6(2)11-8-12-7(10)13-9(14-8)15(3)4/h5-6H,1H2,2-4H3,(H,11,12,13,14)
InChIKeyJAEOYWDJMHLNCZ-UHFFFAOYSA-N
XLogP1.58
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-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-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 106195755
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 62865255
6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3132066
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62863344
6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869021
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-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106214411
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-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865096
6-chloro-2-N-ethoxy-2-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 163715175
6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
CID 104592104

Frequently Asked Questions

What is the IUPAC name of 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 106195710) is 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is C=CC(C)Nc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JAEOYWDJMHLNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-5-6(2)11-8-12-7(10)13-9(14-8)15(3)4/h5-6H,1H2,2-4H3,(H,11,12,13,14).
What are the key properties of 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 227.70 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106195710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).