5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one

C9H15N3O — CID 83875794

IUPAC5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one
SMILESCc1ncc(C(C)CN)c(=O)n1C
InChIInChI=1S/C9H15N3O/c1-6(4-10)8-5-11-7(2)12(3)9(8)13/h5-6H,4,10H2,1-3H3
InChIKeyDJRXCVLAAYJTBJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.15
Rot. Bonds2

About 5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one

5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one (PubChem CID 83875794) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one
PubChem CID83875794
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one
SMILESCc1ncc(C(C)CN)c(=O)n1C
InChIInChI=1S/C9H15N3O/c1-6(4-10)8-5-11-7(2)12(3)9(8)13/h5-6H,4,10H2,1-3H3
InChIKeyDJRXCVLAAYJTBJ-UHFFFAOYSA-N
XLogP0.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one (CID 83875794) is 5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one is Cc1ncc(C(C)CN)c(=O)n1C.
What is the InChIKey of 5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one?
The InChIKey is DJRXCVLAAYJTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(4-10)8-5-11-7(2)12(3)9(8)13/h5-6H,4,10H2,1-3H3.
What are the key properties of 5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one?
5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 83875794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).