N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

C14H22N4O — CID 114600871

IUPACN-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(c1ncc(OC)cn1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N4O/c1-3-18(14-15-8-13(19-2)9-16-14)12-6-10-4-5-11(7-12)17-10/h8-12,17H,3-7H2,1-2H3
InChIKeyPMBUFTTZVVWKFC-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.59
Rot. Bonds4

About N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114600871) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114600871
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(c1ncc(OC)cn1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N4O/c1-3-18(14-15-8-13(19-2)9-16-14)12-6-10-4-5-11(7-12)17-10/h8-12,17H,3-7H2,1-2H3
InChIKeyPMBUFTTZVVWKFC-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methoxy-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 114600914
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine
CID 114789417
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile
CID 107552429
N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62132381
N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66319026
N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62138054
N-propyl-N-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232893
N-cyclopropyl-N-ethyl-5-methylpyrimidin-2-amine
CID 131110420
6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide
CID 61232507
N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82886634
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylfuro[3,2-c]pyridin-4-amine
CID 106535244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 114600871) is N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCN(c1ncc(OC)cn1)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PMBUFTTZVVWKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-18(14-15-8-13(19-2)9-16-14)12-6-10-4-5-11(7-12)17-10/h8-12,17H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 262.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114600871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).