5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

C10H13N3O — CID 166126288

IUPAC5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCc1ncc(N2CC3CC2CO3)cn1
InChIInChI=1S/C10H13N3O/c1-7-11-3-9(4-12-7)13-5-10-2-8(13)6-14-10/h3-4,8,10H,2,5-6H2,1H3
InChIKeyIJKOFQHJTYUEIY-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.76
Rot. Bonds1

About 5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 166126288) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID166126288
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCc1ncc(N2CC3CC2CO3)cn1
InChIInChI=1S/C10H13N3O/c1-7-11-3-9(4-12-7)13-5-10-2-8(13)6-14-10/h3-4,8,10H,2,5-6H2,1H3
InChIKeyIJKOFQHJTYUEIY-UHFFFAOYSA-N
XLogP0.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}pyrimidin-5-amine
CID 66393055
9-Methyl-7-(oxolan-2-ylmethyl)purin-8-one
CID 87051773
4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine
CID 128989348
(1S,4S)-5-[2-(2,2-difluoroethyl)pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 141429238
5-(5-Fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 121020713
5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine
CID 128975000
(1R,4S)-5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129524708
(1S,4S)-5-[2-(2,2-difluorocyclopropyl)pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 149980204
(1S,4S)-5-[2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 150783173
4-(2-Methylpyrimidin-5-yl)morpholine
CID 57550986
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-5-amine
CID 58881987
4-(2-Ethylpyrimidin-5-yl)morpholine
CID 68176462

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 166126288) is 5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is Cc1ncc(N2CC3CC2CO3)cn1.
What is the InChIKey of 5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is IJKOFQHJTYUEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-11-3-9(4-12-7)13-5-10-2-8(13)6-14-10/h3-4,8,10H,2,5-6H2,1H3.
What are the key properties of 5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 191.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 166126288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).