1-(6-aminopyrimidin-4-yl)propan-2-one

C7H9N3O — CID 83857213

IUPAC1-(6-aminopyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1cc(N)ncn1
InChIInChI=1S/C7H9N3O/c1-5(11)2-6-3-7(8)10-4-9-6/h3-4H,2H2,1H3,(H2,8,9,10)
InChIKeyWBVBGOXHQDACTP-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.19
Rot. Bonds2

About 1-(6-aminopyrimidin-4-yl)propan-2-one

1-(6-aminopyrimidin-4-yl)propan-2-one (PubChem CID 83857213) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-(6-aminopyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-aminopyrimidin-4-yl)propan-2-one
PubChem CID83857213
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-(6-aminopyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1cc(N)ncn1
InChIInChI=1S/C7H9N3O/c1-5(11)2-6-3-7(8)10-4-9-6/h3-4H,2H2,1H3,(H2,8,9,10)
InChIKeyWBVBGOXHQDACTP-UHFFFAOYSA-N
XLogP0.19
TPSA68.87 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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-(6-aminopyrimidin-4-yl)propan-2-one (CID 83857213) is 1-(6-aminopyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(6-aminopyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-(6-aminopyrimidin-4-yl)propan-2-one is CC(=O)Cc1cc(N)ncn1.
What is the InChIKey of 1-(6-aminopyrimidin-4-yl)propan-2-one?
The InChIKey is WBVBGOXHQDACTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-5(11)2-6-3-7(8)10-4-9-6/h3-4H,2H2,1H3,(H2,8,9,10).
What are the key properties of 1-(6-aminopyrimidin-4-yl)propan-2-one?
1-(6-aminopyrimidin-4-yl)propan-2-one has a molecular weight of 151.17 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 83857213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).