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

C11H16N4O — CID 80850388

IUPACN-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESCNc1cc(N2CC3CCC(C2)O3)ncn1
InChIInChI=1S/C11H16N4O/c1-12-10-4-11(14-7-13-10)15-5-8-2-3-9(6-15)16-8/h4,7-9H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyOYTDTHHKBYPDAS-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.89
Rot. Bonds2

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

N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (PubChem CID 80850388) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
PubChem CID80850388
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESCNc1cc(N2CC3CCC(C2)O3)ncn1
InChIInChI=1S/C11H16N4O/c1-12-10-4-11(14-7-13-10)15-5-8-2-3-9(6-15)16-8/h4,7-9H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyOYTDTHHKBYPDAS-UHFFFAOYSA-N
XLogP0.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (CID 80850388) is N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is CNc1cc(N2CC3CCC(C2)O3)ncn1.
What is the InChIKey of N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The InChIKey is OYTDTHHKBYPDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-12-10-4-11(14-7-13-10)15-5-8-2-3-9(6-15)16-8/h4,7-9H,2-3,5-6H2,1H3,(H,12,13,14).
What are the key properties of N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine has a molecular weight of 220.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80850388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).