6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine

C15H24ClN5 — CID 80823245

IUPAC6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC2C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C15H24ClN5/c1-5-17-12-19-11(16)20-13(21-12)18-10-14(2,3)9-6-7-15(10,4)8-9/h9-10H,5-8H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyIPXLFKSVJMLRQR-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.58
Rot. Bonds4

About 6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80823245) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine
PubChem CID80823245
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC2C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C15H24ClN5/c1-5-17-12-19-11(16)20-13(21-12)18-10-14(2,3)9-6-7-15(10,4)8-9/h9-10H,5-8H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyIPXLFKSVJMLRQR-UHFFFAOYSA-N
XLogP3.58
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-ethyl-5-fluoro-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine
CID 80823338
6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
CID 80824334
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
(1R,4S)-N-(3,5-dichlorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400287
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
[1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol
CID 80831993
5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918894
4-methyl-1-propyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazol-2-amine
CID 106575381
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine (CID 80823245) is 6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NC2C3(C)CCC(C3)C2(C)C)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IPXLFKSVJMLRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-5-17-12-19-11(16)20-13(21-12)18-10-14(2,3)9-6-7-15(10,4)8-9/h9-10H,5-8H2,1-4H3,(H2,17,18,19,20,21).
What are the key properties of 6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 309.85 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80823245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).