[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C15H19N5O — CID 124955168

IUPAC[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1cc(C)nc([C@]2(C)CCCN2C(=O)c2ccn[nH]2)n1
InChIInChI=1S/C15H19N5O/c1-10-9-11(2)18-14(17-10)15(3)6-4-8-20(15)13(21)12-5-7-16-19-12/h5,7,9H,4,6,8H2,1-3H3,(H,16,19)/t15-/m0/s1
InChIKeyFHWJASQAWVMMDZ-HNNXBMFYSA-N
MW285.35 g/mol
LogP1.97
Rot. Bonds2

About [(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 124955168) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID124955168
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1cc(C)nc([C@]2(C)CCCN2C(=O)c2ccn[nH]2)n1
InChIInChI=1S/C15H19N5O/c1-10-9-11(2)18-14(17-10)15(3)6-4-8-20(15)13(21)12-5-7-16-19-12/h5,7,9H,4,6,8H2,1-3H3,(H,16,19)/t15-/m0/s1
InChIKeyFHWJASQAWVMMDZ-HNNXBMFYSA-N
XLogP1.97
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 124955168) is [(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is Cc1cc(C)nc([C@]2(C)CCCN2C(=O)c2ccn[nH]2)n1.
What is the InChIKey of [(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is FHWJASQAWVMMDZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-9-11(2)18-14(17-10)15(3)6-4-8-20(15)13(21)12-5-7-16-19-12/h5,7,9H,4,6,8H2,1-3H3,(H,16,19)/t15-/m0/s1.
What are the key properties of [(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 124955168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).