N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

C12H18N4O — CID 80851435

IUPACN-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CC3CCC(C2)O3)ncn1
InChIInChI=1S/C12H18N4O/c1-2-13-11-5-12(15-8-14-11)16-6-9-3-4-10(7-16)17-9/h5,8-10H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyIMGFMFRDOFYDLY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds3

About N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (PubChem CID 80851435) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
PubChem CID80851435
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CC3CCC(C2)O3)ncn1
InChIInChI=1S/C12H18N4O/c1-2-13-11-5-12(15-8-14-11)16-6-9-3-4-10(7-16)17-9/h5,8-10H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyIMGFMFRDOFYDLY-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (CID 80851435) is N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is CCNc1cc(N2CC3CCC(C2)O3)ncn1.
What is the InChIKey of N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The InChIKey is IMGFMFRDOFYDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-13-11-5-12(15-8-14-11)16-6-9-3-4-10(7-16)17-9/h5,8-10H,2-4,6-7H2,1H3,(H,13,14,15).
What are the key properties of N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine has a molecular weight of 234.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80851435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).