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

C12H20ClN5 — CID 44725283

IUPAC6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(N(CCC)CCC)n1
InChIInChI=1S/C12H20ClN5/c1-4-7-14-11-15-10(13)16-12(17-11)18(8-5-2)9-6-3/h4H,1,5-9H2,2-3H3,(H,14,15,16,17)
InChIKeyDKZCGCZFDJJKCI-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.75
Rot. Bonds8

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

6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 44725283) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
PubChem CID44725283
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(N(CCC)CCC)n1
InChIInChI=1S/C12H20ClN5/c1-4-7-14-11-15-10(13)16-12(17-11)18(8-5-2)9-6-3/h4H,1,5-9H2,2-3H3,(H,14,15,16,17)
InChIKeyDKZCGCZFDJJKCI-UHFFFAOYSA-N
XLogP2.75
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N2,N2-Di-2-propen-1-yl-1,3,5-triazine-2,4,6-triamine
CID 66682
4,6-Dichloro-N,N-di-2-propen-1-yl-1,3,5-triazin-2-amine
CID 97190
N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
N-Allyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 35294
N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
CID 621427
s-Triazine, 4-amino-2-diallylamino-6-(N,N-dimethylformamidino)-
CID 9578379
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
2,4,6-Triallylamino-sym-triazine
CID 35080
6-chloro-4-N-octyl-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 189564
s-Triazine, 2-chloro-4,6-bis(diallylamino)-
CID 95021
6-Chloro-N~2~,N~4~-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine
CID 71408953
4-chloro-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 141655646

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 44725283) is 6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(N(CCC)CCC)n1.
What is the InChIKey of 6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DKZCGCZFDJJKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-4-7-14-11-15-10(13)16-12(17-11)18(8-5-2)9-6-3/h4H,1,5-9H2,2-3H3,(H,14,15,16,17).
What are the key properties of 6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 269.78 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 44725283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).