5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one

C8H11N3O — CID 169473083

IUPAC5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
SMILESCNCC=Cc1cnc[nH]c1=O
InChIInChI=1S/C8H11N3O/c1-9-4-2-3-7-5-10-6-11-8(7)12/h2-3,5-6,9H,4H2,1H3,(H,10,11,12)
InChIKeyIOLQBYKYAWWMGD-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.00
Rot. Bonds3

About 5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one

5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one (PubChem CID 169473083) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
PubChem CID169473083
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
SMILESCNCC=Cc1cnc[nH]c1=O
InChIInChI=1S/C8H11N3O/c1-9-4-2-3-7-5-10-6-11-8(7)12/h2-3,5-6,9H,4H2,1H3,(H,10,11,12)
InChIKeyIOLQBYKYAWWMGD-UHFFFAOYSA-N
XLogP0.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one (CID 169473083) is 5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one is CNCC=Cc1cnc[nH]c1=O.
What is the InChIKey of 5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one?
The InChIKey is IOLQBYKYAWWMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-9-4-2-3-7-5-10-6-11-8(7)12/h2-3,5-6,9H,4H2,1H3,(H,10,11,12).
What are the key properties of 5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one?
5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one has a molecular weight of 165.20 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 169473083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).