[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone

C15H22N4O2 — CID 95847400

IUPAC[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone
SMILESCNc1cc([C@H]2CCN2C(=O)C2CCOCC2)nc(C)n1
InChIInChI=1S/C15H22N4O2/c1-10-17-12(9-14(16-2)18-10)13-3-6-19(13)15(20)11-4-7-21-8-5-11/h9,11,13H,3-8H2,1-2H3,(H,16,17,18)/t13-/m1/s1
InChIKeyAZAYEWVHVAVCTI-CYBMUJFWSA-N
MW290.37 g/mol
LogP1.53
Rot. Bonds3

About [(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone

[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 95847400) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone
PubChem CID95847400
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone
SMILESCNc1cc([C@H]2CCN2C(=O)C2CCOCC2)nc(C)n1
InChIInChI=1S/C15H22N4O2/c1-10-17-12(9-14(16-2)18-10)13-3-6-19(13)15(20)11-4-7-21-8-5-11/h9,11,13H,3-8H2,1-2H3,(H,16,17,18)/t13-/m1/s1
InChIKeyAZAYEWVHVAVCTI-CYBMUJFWSA-N
XLogP1.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone (CID 95847400) is [(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone is CNc1cc([C@H]2CCN2C(=O)C2CCOCC2)nc(C)n1.
What is the InChIKey of [(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is AZAYEWVHVAVCTI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-17-12(9-14(16-2)18-10)13-3-6-19(13)15(20)11-4-7-21-8-5-11/h9,11,13H,3-8H2,1-2H3,(H,16,17,18)/t13-/m1/s1.
What are the key properties of [(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone?
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 290.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 95847400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).