(1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane

C14H21N3O — CID 98204954

IUPAC(1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCOCc1nc(C)cc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1
InChIInChI=1S/C14H21N3O/c1-9-5-13(16-12(15-9)8-18-4)17-6-10-11(7-17)14(10,2)3/h5,10-11H,6-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyFCSNQOWLKQPSKM-GHMZBOCLSA-N
MW247.34 g/mol
LogP2.02
Rot. Bonds3

About (1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane

(1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 98204954) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
PubChem CID98204954
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCOCc1nc(C)cc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1
InChIInChI=1S/C14H21N3O/c1-9-5-13(16-12(15-9)8-18-4)17-6-10-11(7-17)14(10,2)3/h5,10-11H,6-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyFCSNQOWLKQPSKM-GHMZBOCLSA-N
XLogP2.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

(3aS,7aS)-2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 95971172
2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine
CID 126822851
N-cyclopropyl-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-4-amine
CID 133381181
4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine
CID 125424003
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674447
2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine
CID 125139356
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133399496
4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane
CID 146127392
2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 126825756
4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336876
5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128973713
1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole
CID 156518949

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane (CID 98204954) is (1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane is COCc1nc(C)cc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1.
What is the InChIKey of (1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is FCSNQOWLKQPSKM-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-5-13(16-12(15-9)8-18-4)17-6-10-11(7-17)14(10,2)3/h5,10-11H,6-8H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
(1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 247.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 98204954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).