6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine

C13H22ClN5O — CID 62864225

IUPAC6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-4-19(5-2)13-16-11(14)15-12(17-13)18(3)10-6-8-20-9-7-10/h10H,4-9H2,1-3H3
InChIKeyPVVRNTJIRSLNRS-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.99
Rot. Bonds5

About 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 62864225) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID62864225
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-4-19(5-2)13-16-11(14)15-12(17-13)18(3)10-6-8-20-9-7-10/h10H,4-9H2,1-3H3
InChIKeyPVVRNTJIRSLNRS-UHFFFAOYSA-N
XLogP1.99
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine (CID 62864225) is 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(N(C)C2CCOCC2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PVVRNTJIRSLNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-4-19(5-2)13-16-11(14)15-12(17-13)18(3)10-6-8-20-9-7-10/h10H,4-9H2,1-3H3.
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 299.81 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62864225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).