1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C15H20N6O — CID 110255468

IUPAC1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cc(Nc2cc(C)[nH]n2)nc(C)n1
InChIInChI=1S/C15H20N6O/c1-9-7-15(20-19-9)18-14-8-12(16-10(2)17-14)13-5-4-6-21(13)11(3)22/h7-8,13H,4-6H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyDXLNIJFQQWFPNY-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.24
Rot. Bonds3

About 1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110255468) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID110255468
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cc(Nc2cc(C)[nH]n2)nc(C)n1
InChIInChI=1S/C15H20N6O/c1-9-7-15(20-19-9)18-14-8-12(16-10(2)17-14)13-5-4-6-21(13)11(3)22/h7-8,13H,4-6H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyDXLNIJFQQWFPNY-UHFFFAOYSA-N
XLogP2.24
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
[(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 95821700
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
1-[2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255590
tert-butyl N-[1-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidine-1-carbonyl]cyclohexyl]carbamate
CID 125001249
[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110255875
1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101313
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110256090
2-hydroxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820622
1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124970677
2-methoxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820518

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 110255468) is 1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cc(Nc2cc(C)[nH]n2)nc(C)n1.
What is the InChIKey of 1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is DXLNIJFQQWFPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-9-7-15(20-19-9)18-14-8-12(16-10(2)17-14)13-5-4-6-21(13)11(3)22/h7-8,13H,4-6H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 300.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110255468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).