7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane

C11H15N3O — CID 131642358

IUPAC7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane
SMILESCOC1C2CCC1N(c1ncccn1)C2
InChIInChI=1S/C11H15N3O/c1-15-10-8-3-4-9(10)14(7-8)11-12-5-2-6-13-11/h2,5-6,8-10H,3-4,7H2,1H3
InChIKeyGCLAMMRSPXUUKQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.09
Rot. Bonds2

About 7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane

7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane (PubChem CID 131642358) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane
PubChem CID131642358
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane
SMILESCOC1C2CCC1N(c1ncccn1)C2
InChIInChI=1S/C11H15N3O/c1-15-10-8-3-4-9(10)14(7-8)11-12-5-2-6-13-11/h2,5-6,8-10H,3-4,7H2,1H3
InChIKeyGCLAMMRSPXUUKQ-UHFFFAOYSA-N
XLogP1.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyrimidine
CID 44325893
(3R,3aR,6aS)-3-(oxan-4-ylmethoxy)-1-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97386615
1-(2-Methoxyethyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97409279
3-(Methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118739425
8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118739784
8-(Cyclopropylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746091
8-(2-Methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746394
2-(5-Fluoropyrimidin-2-yl)-7-prop-2-enoxy-2-azabicyclo[2.2.1]heptane
CID 131652268
3-(Cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 131651894
(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-7-(imidazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97403624
(1S,4R,7S)-2-(5-fluoropyrimidin-2-yl)-7-(2-pyrrolidin-1-ylethoxy)-2-azabicyclo[2.2.1]heptane
CID 98780285
(4aR,7S,7aR)-4-(5-fluoropyrimidin-2-yl)-7-(imidazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124520941

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane (CID 131642358) is 7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane is COC1C2CCC1N(c1ncccn1)C2.
What is the InChIKey of 7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane?
The InChIKey is GCLAMMRSPXUUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-15-10-8-3-4-9(10)14(7-8)11-12-5-2-6-13-11/h2,5-6,8-10H,3-4,7H2,1H3.
What are the key properties of 7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane?
7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane has a molecular weight of 205.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131642358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).