[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine

C12H18N4O — CID 83189163

IUPAC[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine
SMILESCc1nc(N2CC3CCC(C2)O3)ncc1CN
InChIInChI=1S/C12H18N4O/c1-8-9(4-13)5-14-12(15-8)16-6-10-2-3-11(7-16)17-10/h5,10-11H,2-4,6-7,13H2,1H3
InChIKeyNJKIWZKQEITSHQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.61
Rot. Bonds2

About [4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine

[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine (PubChem CID 83189163) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is [4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine
PubChem CID83189163
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine
SMILESCc1nc(N2CC3CCC(C2)O3)ncc1CN
InChIInChI=1S/C12H18N4O/c1-8-9(4-13)5-14-12(15-8)16-6-10-2-3-11(7-16)17-10/h5,10-11H,2-4,6-7,13H2,1H3
InChIKeyNJKIWZKQEITSHQ-UHFFFAOYSA-N
XLogP0.61
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine (CID 83189163) is [4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine is Cc1nc(N2CC3CCC(C2)O3)ncc1CN.
What is the InChIKey of [4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine?
The InChIKey is NJKIWZKQEITSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-9(4-13)5-14-12(15-8)16-6-10-2-3-11(7-16)17-10/h5,10-11H,2-4,6-7,13H2,1H3.
What are the key properties of [4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine?
[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine has a molecular weight of 234.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).