4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one

C7H10N4O — CID 69107893

IUPAC4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one
SMILESNC=CCn1ccc(N)nc1=O
InChIInChI=1S/C7H10N4O/c8-3-1-4-11-5-2-6(9)10-7(11)12/h1-3,5H,4,8H2,(H2,9,10,12)
InChIKeyZBMUFZCFXAZEEA-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.70
Rot. Bonds2

About 4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one

4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one (PubChem CID 69107893) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one
PubChem CID69107893
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one
SMILESNC=CCn1ccc(N)nc1=O
InChIInChI=1S/C7H10N4O/c8-3-1-4-11-5-2-6(9)10-7(11)12/h1-3,5H,4,8H2,(H2,9,10,12)
InChIKeyZBMUFZCFXAZEEA-UHFFFAOYSA-N
XLogP-0.70
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one (CID 69107893) is 4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one is NC=CCn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one?
The InChIKey is ZBMUFZCFXAZEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-3-1-4-11-5-2-6(9)10-7(11)12/h1-3,5H,4,8H2,(H2,9,10,12).
What are the key properties of 4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one?
4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one has a molecular weight of 166.18 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one is sourced from PubChem (CID 69107893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).