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

C15H18N6O — CID 110269654

IUPAC1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(Nc3ncccn3)nc(C)n2)C1
InChIInChI=1S/C15H18N6O/c1-10-18-13(12-4-7-21(9-12)11(2)22)8-14(19-10)20-15-16-5-3-6-17-15/h3,5-6,8,12H,4,7,9H2,1-2H3,(H,16,17,18,19,20)
InChIKeyNZSQNUSVVJUKMM-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.65
Rot. Bonds3

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

1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110269654) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID110269654
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(Nc3ncccn3)nc(C)n2)C1
InChIInChI=1S/C15H18N6O/c1-10-18-13(12-4-7-21(9-12)11(2)22)8-14(19-10)20-15-16-5-3-6-17-15/h3,5-6,8,12H,4,7,9H2,1-2H3,(H,16,17,18,19,20)
InChIKeyNZSQNUSVVJUKMM-UHFFFAOYSA-N
XLogP1.65
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 110269654) is 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(Nc3ncccn3)nc(C)n2)C1.
What is the InChIKey of 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is NZSQNUSVVJUKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10-18-13(12-4-7-21(9-12)11(2)22)8-14(19-10)20-15-16-5-3-6-17-15/h3,5-6,8,12H,4,7,9H2,1-2H3,(H,16,17,18,19,20).
What are the key properties of 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 298.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110269654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).