(1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone

C15H20N6O2 — CID 95847621

IUPAC(1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
SMILESCNc1cc([C@@H]2CN(C(=O)c3nccn3C)CCO2)nc(C)n1
InChIInChI=1S/C15H20N6O2/c1-10-18-11(8-13(16-2)19-10)12-9-21(6-7-23-12)15(22)14-17-4-5-20(14)3/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18,19)/t12-/m0/s1
InChIKeyKYRSDUSULFHIPU-LBPRGKRZSA-N
MW316.37 g/mol
LogP0.77
Rot. Bonds3

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

(1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone (PubChem CID 95847621) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
PubChem CID95847621
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
SMILESCNc1cc([C@@H]2CN(C(=O)c3nccn3C)CCO2)nc(C)n1
InChIInChI=1S/C15H20N6O2/c1-10-18-11(8-13(16-2)19-10)12-9-21(6-7-23-12)15(22)14-17-4-5-20(14)3/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18,19)/t12-/m0/s1
InChIKeyKYRSDUSULFHIPU-LBPRGKRZSA-N
XLogP0.77
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95847596
2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844513
2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044847
(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
(1-methylimidazol-2-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014614
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 113284997
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone
CID 110112464
[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110115924
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273
6-(4-cyclopentylmorpholin-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 110271821
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone (CID 95847621) is (1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone is CNc1cc([C@@H]2CN(C(=O)c3nccn3C)CCO2)nc(C)n1.
What is the InChIKey of (1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The InChIKey is KYRSDUSULFHIPU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-18-11(8-13(16-2)19-10)12-9-21(6-7-23-12)15(22)14-17-4-5-20(14)3/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18,19)/t12-/m0/s1.
What are the key properties of (1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
(1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone has a molecular weight of 316.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 95847621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).