5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one

C7H9N3O2 — CID 169463272

IUPAC5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C7H9N3O2/c8-3-1-2-5-6(11)9-4-10-7(5)12/h1-2,4H,3,8H2,(H2,9,10,11,12)
InChIKeyDKEOXPIFSZCWIU-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.55
Rot. Bonds2

About 5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one

5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 169463272) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID169463272
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C7H9N3O2/c8-3-1-2-5-6(11)9-4-10-7(5)12/h1-2,4H,3,8H2,(H2,9,10,11,12)
InChIKeyDKEOXPIFSZCWIU-UHFFFAOYSA-N
XLogP-0.55
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one (CID 169463272) is 5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one is NCC=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DKEOXPIFSZCWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-3-1-2-5-6(11)9-4-10-7(5)12/h1-2,4H,3,8H2,(H2,9,10,11,12).
What are the key properties of 5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 167.17 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 169463272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).