[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone

C19H20N6O2 — CID 110135482

IUPAC[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESCc1nc(-c2c(C)noc2C)cc(C2CCCN2C(=O)c2ccncn2)n1
InChIInChI=1S/C19H20N6O2/c1-11-18(12(2)27-24-11)16-9-15(22-13(3)23-16)17-5-4-8-25(17)19(26)14-6-7-20-10-21-14/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyYMJUYMYSMIDHHG-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.82
Rot. Bonds3

About [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone

[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 110135482) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID110135482
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESCc1nc(-c2c(C)noc2C)cc(C2CCCN2C(=O)c2ccncn2)n1
InChIInChI=1S/C19H20N6O2/c1-11-18(12(2)27-24-11)16-9-15(22-13(3)23-16)17-5-4-8-25(17)19(26)14-6-7-20-10-21-14/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyYMJUYMYSMIDHHG-UHFFFAOYSA-N
XLogP2.82
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 125018437
1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110135353
(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124978935
[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]azepan-1-yl]-pyrimidin-4-ylmethanone
CID 110135483
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 110129583
[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 125002559
[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124998744
[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 124969712
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110129252
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124975862
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110129411
[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110159074

Frequently Asked Questions

What is the IUPAC name of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone (CID 110135482) is [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone is Cc1nc(-c2c(C)noc2C)cc(C2CCCN2C(=O)c2ccncn2)n1.
What is the InChIKey of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is YMJUYMYSMIDHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-18(12(2)27-24-11)16-9-15(22-13(3)23-16)17-5-4-8-25(17)19(26)14-6-7-20-10-21-14/h6-7,9-10,17H,4-5,8H2,1-3H3.
What are the key properties of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 364.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 110135482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).