1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine

C11H19N5O2 — CID 116653264

IUPAC1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
SMILESCOc1nc(OC)nc(N(C)C(CN)C2CC2)n1
InChIInChI=1S/C11H19N5O2/c1-16(8(6-12)7-4-5-7)9-13-10(17-2)15-11(14-9)18-3/h7-8H,4-6,12H2,1-3H3
InChIKeyFGCBNJFJYZPYIF-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.06
Rot. Bonds6

About 1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine

1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine (PubChem CID 116653264) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
PubChem CID116653264
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
SMILESCOc1nc(OC)nc(N(C)C(CN)C2CC2)n1
InChIInChI=1S/C11H19N5O2/c1-16(8(6-12)7-4-5-7)9-13-10(17-2)15-11(14-9)18-3/h7-8H,4-6,12H2,1-3H3
InChIKeyFGCBNJFJYZPYIF-UHFFFAOYSA-N
XLogP0.06
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine (CID 116653264) is 1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine is COc1nc(OC)nc(N(C)C(CN)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is FGCBNJFJYZPYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-16(8(6-12)7-4-5-7)9-13-10(17-2)15-11(14-9)18-3/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine?
1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 253.31 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 116653264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).