N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C12H19N5O2 — CID 55136077

IUPACN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCOc1nc(NC2CCN3CCCC23)nc(OC)n1
InChIInChI=1S/C12H19N5O2/c1-18-11-14-10(15-12(16-11)19-2)13-8-5-7-17-6-3-4-9(8)17/h8-9H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyJAXRVBVFCBMVAH-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.54
Rot. Bonds4

About N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 55136077) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID55136077
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCOc1nc(NC2CCN3CCCC23)nc(OC)n1
InChIInChI=1S/C12H19N5O2/c1-18-11-14-10(15-12(16-11)19-2)13-8-5-7-17-6-3-4-9(8)17/h8-9H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyJAXRVBVFCBMVAH-UHFFFAOYSA-N
XLogP0.54
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 55136077) is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is COc1nc(NC2CCN3CCCC23)nc(OC)n1.
What is the InChIKey of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is JAXRVBVFCBMVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-18-11-14-10(15-12(16-11)19-2)13-8-5-7-17-6-3-4-9(8)17/h8-9H,3-7H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 265.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 55136077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).