4-amino-1-prop-1-en-2-ylpyrimidin-2-one

C7H9N3O — CID 145434228

IUPAC4-amino-1-prop-1-en-2-ylpyrimidin-2-one
SMILESC=C(C)n1ccc(N)nc1=O
InChIInChI=1S/C7H9N3O/c1-5(2)10-4-3-6(8)9-7(10)11/h3-4H,1H2,2H3,(H2,8,9,11)
InChIKeyXBUBBVGIANUVNW-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.32
Rot. Bonds1

About 4-amino-1-prop-1-en-2-ylpyrimidin-2-one

4-amino-1-prop-1-en-2-ylpyrimidin-2-one (PubChem CID 145434228) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-amino-1-prop-1-en-2-ylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-prop-1-en-2-ylpyrimidin-2-one
PubChem CID145434228
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-amino-1-prop-1-en-2-ylpyrimidin-2-one
SMILESC=C(C)n1ccc(N)nc1=O
InChIInChI=1S/C7H9N3O/c1-5(2)10-4-3-6(8)9-7(10)11/h3-4H,1H2,2H3,(H2,8,9,11)
InChIKeyXBUBBVGIANUVNW-UHFFFAOYSA-N
XLogP0.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-4-aminopyrimidin-2-one;methane
CID 174689479
4-amino-1-prop-2-enoylpyrimidin-2-one
CID 152628564
4-amino-1-methylpyrimidin-2-one;hydrobromide
CID 91983314
4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one
CID 118607354
3-amino-4-fluoro-1-prop-1-en-2-ylpyridin-2-one
CID 137450545
4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one
CID 174553497
1-prop-1-en-2-ylpyrimidin-2-one
CID 169202708
4-amino-1-methylpyrimidin-2-one;propane
CID 143278150
4-amino-1-[4-[1-(2-methylprop-1-enylsulfanyl)ethenyl]phenyl]pyrimidin-2-one
CID 170032509
4-amino-1-(5-methylcyclohepta-1,3,6-triene-1-carbonyl)pyrimidin-2-one
CID 139438538
4-amino-1-[(3Z,5E)-6-[2-(aminomethyl)oxolan-2-yl]-3-methylhepta-1,3,5-trien-2-yl]pyrimidin-2-one
CID 170115828
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-prop-1-en-2-ylpyrimidin-2-one?
The IUPAC name of 4-amino-1-prop-1-en-2-ylpyrimidin-2-one (CID 145434228) is 4-amino-1-prop-1-en-2-ylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-prop-1-en-2-ylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-prop-1-en-2-ylpyrimidin-2-one is C=C(C)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-prop-1-en-2-ylpyrimidin-2-one?
The InChIKey is XBUBBVGIANUVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-5(2)10-4-3-6(8)9-7(10)11/h3-4H,1H2,2H3,(H2,8,9,11).
What are the key properties of 4-amino-1-prop-1-en-2-ylpyrimidin-2-one?
4-amino-1-prop-1-en-2-ylpyrimidin-2-one has a molecular weight of 151.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-prop-1-en-2-ylpyrimidin-2-one is sourced from PubChem (CID 145434228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).