6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

C13H24ClN5 — CID 62864543

IUPAC6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(CC)CC(C)C)n1
InChIInChI=1S/C13H24ClN5/c1-6-18(7-2)12-15-11(14)16-13(17-12)19(8-3)9-10(4)5/h10H,6-9H2,1-5H3
InChIKeyVDQCNOHGBRFAGB-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.85
Rot. Bonds7

About 6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62864543) has the molecular formula C13H24ClN5 and a molecular weight of 285.82 g/mol. Its IUPAC name is 6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID62864543
Molecular FormulaC13H24ClN5
Molecular Weight285.82 g/mol
Exact Mass285.17
IUPAC Name6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(CC)CC(C)C)n1
InChIInChI=1S/C13H24ClN5/c1-6-18(7-2)12-15-11(14)16-13(17-12)19(8-3)9-10(4)5/h10H,6-9H2,1-5H3
InChIKeyVDQCNOHGBRFAGB-UHFFFAOYSA-N
XLogP2.85
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (CID 62864543) is 6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(N(CC)CC(C)C)n1.
What is the InChIKey of 6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VDQCNOHGBRFAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5/c1-6-18(7-2)12-15-11(14)16-13(17-12)19(8-3)9-10(4)5/h10H,6-9H2,1-5H3.
What are the key properties of 6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 285.82 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62864543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).