3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one

C18H24N6O — CID 110256839

IUPAC3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
SMILESCc1nc(Nc2ncccn2)cc(C2CCCN2C(=O)CC(C)C)n1
InChIInChI=1S/C18H24N6O/c1-12(2)10-17(25)24-9-4-6-15(24)14-11-16(22-13(3)21-14)23-18-19-7-5-8-20-18/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3,(H,19,20,21,22,23)
InChIKeyQNAKCCZPGCFITQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.03
Rot. Bonds5

About 3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one

3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one (PubChem CID 110256839) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
PubChem CID110256839
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
SMILESCc1nc(Nc2ncccn2)cc(C2CCCN2C(=O)CC(C)C)n1
InChIInChI=1S/C18H24N6O/c1-12(2)10-17(25)24-9-4-6-15(24)14-11-16(22-13(3)21-14)23-18-19-7-5-8-20-18/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3,(H,19,20,21,22,23)
InChIKeyQNAKCCZPGCFITQ-UHFFFAOYSA-N
XLogP3.03
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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
3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95844542
2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol
CID 110256879
2-methyl-6-(1-methylpyrrolidin-2-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269635
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 95820566
2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255904
2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269979
1-[(2R)-2-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95842240
2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine
CID 95842576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one (CID 110256839) is 3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one is Cc1nc(Nc2ncccn2)cc(C2CCCN2C(=O)CC(C)C)n1.
What is the InChIKey of 3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is QNAKCCZPGCFITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12(2)10-17(25)24-9-4-6-15(24)14-11-16(22-13(3)21-14)23-18-19-7-5-8-20-18/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3,(H,19,20,21,22,23).
What are the key properties of 3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one?
3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 340.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 110256839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).