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

C15H22N4O2 — CID 95847399

IUPAC[(2S)-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-/m0/s1
InChIKeyAZAYEWVHVAVCTI-ZDUSSCGKSA-N
MW290.37 g/mol
LogP1.53
Rot. Bonds3

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

[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 95847399) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone
PubChem CID95847399
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[(2S)-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-/m0/s1
InChIKeyAZAYEWVHVAVCTI-ZDUSSCGKSA-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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Related Compounds

[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone
CID 95847400
[2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 110099550
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124953053
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124955176
N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110113625
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124975862
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124950827
N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113612
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110091139
1-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124976129
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 110113693
(1-ethylpyrazol-4-yl)-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 125009135

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone (CID 95847399) is [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(2S)-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 [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is AZAYEWVHVAVCTI-ZDUSSCGKSA-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-/m0/s1.
What are the key properties of [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone?
[(2S)-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 [(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 95847399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).