[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

C16H23N3O2 — CID 95829883

IUPAC[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cc(C)nc([C@@H]2CCN(C(=O)C3CCOCC3)C2)n1
InChIInChI=1S/C16H23N3O2/c1-11-9-12(2)18-15(17-11)14-3-6-19(10-14)16(20)13-4-7-21-8-5-13/h9,13-14H,3-8,10H2,1-2H3/t14-/m1/s1
InChIKeyGACWQRHSDAAAQY-CQSZACIVSA-N
MW289.38 g/mol
LogP1.84
Rot. Bonds2

About [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 95829883) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID95829883
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cc(C)nc([C@@H]2CCN(C(=O)C3CCOCC3)C2)n1
InChIInChI=1S/C16H23N3O2/c1-11-9-12(2)18-15(17-11)14-3-6-19(10-14)16(20)13-4-7-21-8-5-13/h9,13-14H,3-8,10H2,1-2H3/t14-/m1/s1
InChIKeyGACWQRHSDAAAQY-CQSZACIVSA-N
XLogP1.84
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 95829883) is [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is Cc1cc(C)nc([C@@H]2CCN(C(=O)C3CCOCC3)C2)n1.
What is the InChIKey of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is GACWQRHSDAAAQY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-9-12(2)18-15(17-11)14-3-6-19(10-14)16(20)13-4-7-21-8-5-13/h9,13-14H,3-8,10H2,1-2H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 95829883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).