N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine

C13H20N4O — CID 50965582

IUPACN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC23CCCN2CCC3)ncn1
InChIInChI=1S/C13H20N4O/c1-18-12-8-11(15-10-16-12)14-9-13-4-2-6-17(13)7-3-5-13/h8,10H,2-7,9H2,1H3,(H,14,15,16)
InChIKeyQFHLHUUXDOXAKP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds4

About N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine

N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine (PubChem CID 50965582) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine
PubChem CID50965582
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC23CCCN2CCC3)ncn1
InChIInChI=1S/C13H20N4O/c1-18-12-8-11(15-10-16-12)14-9-13-4-2-6-17(13)7-3-5-13/h8,10H,2-7,9H2,1H3,(H,14,15,16)
InChIKeyQFHLHUUXDOXAKP-UHFFFAOYSA-N
XLogP1.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine?
The IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine (CID 50965582) is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine is COc1cc(NCC23CCCN2CCC3)ncn1.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine?
The InChIKey is QFHLHUUXDOXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-18-12-8-11(15-10-16-12)14-9-13-4-2-6-17(13)7-3-5-13/h8,10H,2-7,9H2,1H3,(H,14,15,16).
What are the key properties of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine?
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 50965582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).