(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

C16H19N5O2 — CID 124956680

IUPAC(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1nccc([C@@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)n1
InChIInChI=1S/C16H19N5O2/c1-10-13(8-18-12(3)19-10)16(22)21-6-7-23-15(9-21)14-4-5-17-11(2)20-14/h4-5,8,15H,6-7,9H2,1-3H3/t15-/m0/s1
InChIKeyFTKXITJQFQXGIW-HNNXBMFYSA-N
MW313.36 g/mol
LogP1.41
Rot. Bonds2

About (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone (PubChem CID 124956680) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
PubChem CID124956680
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1nccc([C@@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)n1
InChIInChI=1S/C16H19N5O2/c1-10-13(8-18-12(3)19-10)16(22)21-6-7-23-15(9-21)14-4-5-17-11(2)20-14/h4-5,8,15H,6-7,9H2,1-3H3/t15-/m0/s1
InChIKeyFTKXITJQFQXGIW-HNNXBMFYSA-N
XLogP1.41
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 110115620
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
(1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115890
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124977291
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124966222
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110115882
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860
1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125018775

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone (CID 124956680) is (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone is Cc1nccc([C@@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)n1.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The InChIKey is FTKXITJQFQXGIW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-13(8-18-12(3)19-10)16(22)21-6-7-23-15(9-21)14-4-5-17-11(2)20-14/h4-5,8,15H,6-7,9H2,1-3H3/t15-/m0/s1.
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone has a molecular weight of 313.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124956680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).