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

C14H22N4O — CID 112637279

IUPACN-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCOc1cc(C)nc(NC2CCN3CCCC23)n1
InChIInChI=1S/C14H22N4O/c1-3-19-13-9-10(2)15-14(17-13)16-11-6-8-18-7-4-5-12(11)18/h9,11-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyOZSWSDPEHLRECZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.83
Rot. Bonds4

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

N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 112637279) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID112637279
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCOc1cc(C)nc(NC2CCN3CCCC23)n1
InChIInChI=1S/C14H22N4O/c1-3-19-13-9-10(2)15-14(17-13)16-11-6-8-18-7-4-5-12(11)18/h9,11-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyOZSWSDPEHLRECZ-UHFFFAOYSA-N
XLogP1.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

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Related Compounds

4-ethoxy-N-(2-ethylcyclohexyl)-6-methylpyrimidin-2-amine
CID 112637169
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
1-N-(4-ethoxy-6-methylpyrimidin-2-yl)cyclopropane-1,2-diamine
CID 112634745
4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine
CID 112637959
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 80904548
4-ethoxy-6-methyl-N-piperidin-1-ylpyrimidin-2-amine
CID 112638433
4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996136
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 55136077
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 115974493
N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82854063
2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine
CID 80785173
4-methyl-N-(2-methylcyclopropyl)-6-propoxypyrimidin-2-amine
CID 112637482

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 112637279) is N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCOc1cc(C)nc(NC2CCN3CCCC23)n1.
What is the InChIKey of N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is OZSWSDPEHLRECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-19-13-9-10(2)15-14(17-13)16-11-6-8-18-7-4-5-12(11)18/h9,11-12H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 262.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 112637279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).