6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C11H18ClN5O2 — CID 104764589

IUPAC6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOC1(CNc2nc(Cl)nc(N(C)C)n2)CCOC1
InChIInChI=1S/C11H18ClN5O2/c1-17(2)10-15-8(12)14-9(16-10)13-6-11(18-3)4-5-19-7-11/h4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyUZCDOSDRXABYMP-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.81
Rot. Bonds5

About 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 104764589) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID104764589
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOC1(CNc2nc(Cl)nc(N(C)C)n2)CCOC1
InChIInChI=1S/C11H18ClN5O2/c1-17(2)10-15-8(12)14-9(16-10)13-6-11(18-3)4-5-19-7-11/h4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyUZCDOSDRXABYMP-UHFFFAOYSA-N
XLogP0.81
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 104764589) is 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COC1(CNc2nc(Cl)nc(N(C)C)n2)CCOC1.
What is the InChIKey of 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UZCDOSDRXABYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-17(2)10-15-8(12)14-9(16-10)13-6-11(18-3)4-5-19-7-11/h4-7H2,1-3H3,(H,13,14,15,16).
What are the key properties of 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 287.75 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 104764589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).