4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine

C14H22N4O — CID 128564545

IUPAC4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine
SMILESCc1cnc(NCCN2CC3CCC(C2)O3)nc1C
InChIInChI=1S/C14H22N4O/c1-10-7-16-14(17-11(10)2)15-5-6-18-8-12-3-4-13(9-18)19-12/h7,12-13H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyXXYFZEMSLHDQNU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.37
Rot. Bonds4

About 4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine

4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 128564545) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine
PubChem CID128564545
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine
SMILESCc1cnc(NCCN2CC3CCC(C2)O3)nc1C
InChIInChI=1S/C14H22N4O/c1-10-7-16-14(17-11(10)2)15-5-6-18-8-12-3-4-13(9-18)19-12/h7,12-13H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyXXYFZEMSLHDQNU-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine (CID 128564545) is 4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine is Cc1cnc(NCCN2CC3CCC(C2)O3)nc1C.
What is the InChIKey of 4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is XXYFZEMSLHDQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-7-16-14(17-11(10)2)15-5-6-18-8-12-3-4-13(9-18)19-12/h7,12-13H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine?
4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 128564545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).