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

C7H10N4O — CID 66637222

IUPAC6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one
SMILESC=CC(N)c1cnc(=O)[nH]c1N
InChIInChI=1S/C7H10N4O/c1-2-5(8)4-3-10-7(12)11-6(4)9/h2-3,5H,1,8H2,(H3,9,10,11,12)
InChIKeyHQCTXZNRINSVRY-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.46
Rot. Bonds2

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

6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one (PubChem CID 66637222) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one
PubChem CID66637222
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one
SMILESC=CC(N)c1cnc(=O)[nH]c1N
InChIInChI=1S/C7H10N4O/c1-2-5(8)4-3-10-7(12)11-6(4)9/h2-3,5H,1,8H2,(H3,9,10,11,12)
InChIKeyHQCTXZNRINSVRY-UHFFFAOYSA-N
XLogP-0.46
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.46
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-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one (CID 66637222) is 6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one is C=CC(N)c1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one?
The InChIKey is HQCTXZNRINSVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-2-5(8)4-3-10-7(12)11-6(4)9/h2-3,5H,1,8H2,(H3,9,10,11,12).
What are the key properties of 6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one?
6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one has a molecular weight of 166.18 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 66637222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).