1-[2-(methylamino)pyrimidin-5-yl]ethanone

C7H9N3O — CID 45085797

IUPAC1-[2-(methylamino)pyrimidin-5-yl]ethanone
SMILESCNc1ncc(C(C)=O)cn1
InChIInChI=1S/C7H9N3O/c1-5(11)6-3-9-7(8-2)10-4-6/h3-4H,1-2H3,(H,8,9,10)
InChIKeyPHRSDSSRQKVRCX-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.72
Rot. Bonds2

About 1-[2-(methylamino)pyrimidin-5-yl]ethanone

1-[2-(methylamino)pyrimidin-5-yl]ethanone (PubChem CID 45085797) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-[2-(methylamino)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methylamino)pyrimidin-5-yl]ethanone
PubChem CID45085797
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-[2-(methylamino)pyrimidin-5-yl]ethanone
SMILESCNc1ncc(C(C)=O)cn1
InChIInChI=1S/C7H9N3O/c1-5(11)6-3-9-7(8-2)10-4-6/h3-4H,1-2H3,(H,8,9,10)
InChIKeyPHRSDSSRQKVRCX-UHFFFAOYSA-N
XLogP0.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(methylamino)pyrimidin-5-yl]ethanone (CID 45085797) is 1-[2-(methylamino)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(methylamino)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(methylamino)pyrimidin-5-yl]ethanone is CNc1ncc(C(C)=O)cn1.
What is the InChIKey of 1-[2-(methylamino)pyrimidin-5-yl]ethanone?
The InChIKey is PHRSDSSRQKVRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-5(11)6-3-9-7(8-2)10-4-6/h3-4H,1-2H3,(H,8,9,10).
What are the key properties of 1-[2-(methylamino)pyrimidin-5-yl]ethanone?
1-[2-(methylamino)pyrimidin-5-yl]ethanone has a molecular weight of 151.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 45085797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).