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

C15H19N7O — CID 95842862

IUPAC2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
SMILESCNCC(=O)N1CC(c2cc(Nc3ncccn3)nc(C)n2)C1
InChIInChI=1S/C15H19N7O/c1-10-19-12(11-8-22(9-11)14(23)7-16-2)6-13(20-10)21-15-17-4-3-5-18-15/h3-6,11,16H,7-9H2,1-2H3,(H,17,18,19,20,21)
InChIKeySIYQBTRBNYRMQF-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.46
Rot. Bonds5

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

2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone (PubChem CID 95842862) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
PubChem CID95842862
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
SMILESCNCC(=O)N1CC(c2cc(Nc3ncccn3)nc(C)n2)C1
InChIInChI=1S/C15H19N7O/c1-10-19-12(11-8-22(9-11)14(23)7-16-2)6-13(20-10)21-15-17-4-3-5-18-15/h3-6,11,16H,7-9H2,1-2H3,(H,17,18,19,20,21)
InChIKeySIYQBTRBNYRMQF-UHFFFAOYSA-N
XLogP0.46
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone (CID 95842862) is 2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone is CNCC(=O)N1CC(c2cc(Nc3ncccn3)nc(C)n2)C1.
What is the InChIKey of 2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone?
The InChIKey is SIYQBTRBNYRMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-10-19-12(11-8-22(9-11)14(23)7-16-2)6-13(20-10)21-15-17-4-3-5-18-15/h3-6,11,16H,7-9H2,1-2H3,(H,17,18,19,20,21).
What are the key properties of 2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone?
2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone has a molecular weight of 313.37 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 95842862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).