6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one

C8H12N4O — CID 56981499

IUPAC6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one
SMILESNCC=CCc1cnc(=O)[nH]c1N
InChIInChI=1S/C8H12N4O/c9-4-2-1-3-6-5-11-8(13)12-7(6)10/h1-2,5H,3-4,9H2,(H3,10,11,12,13)
InChIKeyLZUMKZMGOHSYCW-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.59
Rot. Bonds3

About 6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one

6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one (PubChem CID 56981499) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one
PubChem CID56981499
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one
SMILESNCC=CCc1cnc(=O)[nH]c1N
InChIInChI=1S/C8H12N4O/c9-4-2-1-3-6-5-11-8(13)12-7(6)10/h1-2,5H,3-4,9H2,(H3,10,11,12,13)
InChIKeyLZUMKZMGOHSYCW-UHFFFAOYSA-N
XLogP-0.59
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one (CID 56981499) is 6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one is NCC=CCc1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one?
The InChIKey is LZUMKZMGOHSYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-4-2-1-3-6-5-11-8(13)12-7(6)10/h1-2,5H,3-4,9H2,(H3,10,11,12,13).
What are the key properties of 6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one?
6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 56981499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).