5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one

C8H13N3O — CID 83873641

IUPAC5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one
SMILESCC(CN)c1cncn(C)c1=O
InChIInChI=1S/C8H13N3O/c1-6(3-9)7-4-10-5-11(2)8(7)12/h4-6H,3,9H2,1-2H3
InChIKeyASGTVIAGVIPDON-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.16
Rot. Bonds2

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

5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one (PubChem CID 83873641) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one
PubChem CID83873641
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one
SMILESCC(CN)c1cncn(C)c1=O
InChIInChI=1S/C8H13N3O/c1-6(3-9)7-4-10-5-11(2)8(7)12/h4-6H,3,9H2,1-2H3
InChIKeyASGTVIAGVIPDON-UHFFFAOYSA-N
XLogP-0.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.16
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)-3-methylpyrimidin-4-one?
The IUPAC name of 5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one (CID 83873641) is 5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one?
The canonical SMILES for 5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one is CC(CN)c1cncn(C)c1=O.
What is the InChIKey of 5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one?
The InChIKey is ASGTVIAGVIPDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(3-9)7-4-10-5-11(2)8(7)12/h4-6H,3,9H2,1-2H3.
What are the key properties of 5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one?
5-(1-aminopropan-2-yl)-3-methylpyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of -0.16, 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)-3-methylpyrimidin-4-one is sourced from PubChem (CID 83873641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).