(1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane

C15H21N3O2 — CID 124796644

IUPAC(1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane
SMILESCOc1cc(N2C[C@H]3CC[C@H]2[C@@H]3OCC2CC2)ncn1
InChIInChI=1S/C15H21N3O2/c1-19-14-6-13(16-9-17-14)18-7-11-4-5-12(18)15(11)20-8-10-2-3-10/h6,9-12,15H,2-5,7-8H2,1H3/t11-,12+,15-/m1/s1
InChIKeyMUCMETMIAAVUKR-TYNCELHUSA-N
MW275.35 g/mol
LogP1.88
Rot. Bonds5

About (1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane

(1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane (PubChem CID 124796644) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane
PubChem CID124796644
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane
SMILESCOc1cc(N2C[C@H]3CC[C@H]2[C@@H]3OCC2CC2)ncn1
InChIInChI=1S/C15H21N3O2/c1-19-14-6-13(16-9-17-14)18-7-11-4-5-12(18)15(11)20-8-10-2-3-10/h6,9-12,15H,2-5,7-8H2,1H3/t11-,12+,15-/m1/s1
InChIKeyMUCMETMIAAVUKR-TYNCELHUSA-N
XLogP1.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane with MolForge

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Related Compounds

(4aR,9aR)-4-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 97511094
8-(6-Methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 118738728
3-(Methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 118744836
8-(6-Methoxypyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118745535
1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine
CID 97477318
11-(Cyclopropylmethyl)-2-(6-methoxypyrimidin-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 155901883
6-azatricyclo[4.3.0.03,9]nonan-4-yl N'-ethenyl-N-(6-methoxypyrimidin-4-yl)-N-methylcarbamimidate
CID 148315154
9-(6-Ethoxypyrimidin-4-YL)-6-oxa-9-azaspiro[4.5]decane
CID 86795919
2-[1-(6-Ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 86797850
(3S,3aS,7aR)-3-(cyclopropylmethoxy)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97364827
(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369643
(3R,5R)-7-(6-methoxypyrimidin-4-yl)-N-methyl-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394697

Frequently Asked Questions

What is the IUPAC name of (1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane (CID 124796644) is (1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane is COc1cc(N2C[C@H]3CC[C@H]2[C@@H]3OCC2CC2)ncn1.
What is the InChIKey of (1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is MUCMETMIAAVUKR-TYNCELHUSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-14-6-13(16-9-17-14)18-7-11-4-5-12(18)15(11)20-8-10-2-3-10/h6,9-12,15H,2-5,7-8H2,1H3/t11-,12+,15-/m1/s1.
What are the key properties of (1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane?
(1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 275.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,7R)-7-(cyclopropylmethoxy)-2-(6-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 124796644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).