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

C12H18N4O — CID 66327026

IUPACN-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCOc1cc(NC2CCN3CCCC23)ncn1
InChIInChI=1S/C12H18N4O/c1-17-12-7-11(13-8-14-12)15-9-4-6-16-5-2-3-10(9)16/h7-10H,2-6H2,1H3,(H,13,14,15)
InChIKeyOOCOBJISUAMEFD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds3

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

N-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 66327026) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID66327026
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCOc1cc(NC2CCN3CCCC23)ncn1
InChIInChI=1S/C12H18N4O/c1-17-12-7-11(13-8-14-12)15-9-4-6-16-5-2-3-10(9)16/h7-10H,2-6H2,1H3,(H,13,14,15)
InChIKeyOOCOBJISUAMEFD-UHFFFAOYSA-N
XLogP1.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 66327026) is N-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is COc1cc(NC2CCN3CCCC23)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is OOCOBJISUAMEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-17-12-7-11(13-8-14-12)15-9-4-6-16-5-2-3-10(9)16/h7-10H,2-6H2,1H3,(H,13,14,15).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 234.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 66327026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).