3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one

C17H22N6O — CID 95844542

IUPAC3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC[C@@H]1c1nccnc1Nc1ncccn1
InChIInChI=1S/C17H22N6O/c1-12(2)11-14(24)23-10-3-5-13(23)15-16(19-9-8-18-15)22-17-20-6-4-7-21-17/h4,6-9,12-13H,3,5,10-11H2,1-2H3,(H,19,20,21,22)/t13-/m1/s1
InChIKeyJLPDJSRYQMDSFB-CYBMUJFWSA-N
MW326.40 g/mol
LogP2.72
Rot. Bonds5

About 3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one

3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one (PubChem CID 95844542) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
PubChem CID95844542
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC[C@@H]1c1nccnc1Nc1ncccn1
InChIInChI=1S/C17H22N6O/c1-12(2)11-14(24)23-10-3-5-13(23)15-16(19-9-8-18-15)22-17-20-6-4-7-21-17/h4,6-9,12-13H,3,5,10-11H2,1-2H3,(H,19,20,21,22)/t13-/m1/s1
InChIKeyJLPDJSRYQMDSFB-CYBMUJFWSA-N
XLogP2.72
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one with MolForge

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Related Compounds

3-methyl-1-[(2S)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 95823756
3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 110256839
1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844568
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124959791
2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844524
(E)-3-(1H-imidazol-5-yl)-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 132770956
1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844570
3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one
CID 110256842
2-hydroxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820622
2-methoxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820518
4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
CID 95844426

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one (CID 95844542) is 3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCC[C@@H]1c1nccnc1Nc1ncccn1.
What is the InChIKey of 3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is JLPDJSRYQMDSFB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12(2)11-14(24)23-10-3-5-13(23)15-16(19-9-8-18-15)22-17-20-6-4-7-21-17/h4,6-9,12-13H,3,5,10-11H2,1-2H3,(H,19,20,21,22)/t13-/m1/s1.
What are the key properties of 3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one?
3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 95844542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).