6-(prop-2-enylamino)-1H-pyrimidin-2-one

C7H9N3O — CID 66641504

IUPAC6-(prop-2-enylamino)-1H-pyrimidin-2-one
SMILESC=CCNc1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-2-4-8-6-3-5-9-7(11)10-6/h2-3,5H,1,4H2,(H2,8,9,10,11)
InChIKeyNOMGZRHONAMYTM-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.37
Rot. Bonds3

About 6-(prop-2-enylamino)-1H-pyrimidin-2-one

6-(prop-2-enylamino)-1H-pyrimidin-2-one (PubChem CID 66641504) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 6-(prop-2-enylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(prop-2-enylamino)-1H-pyrimidin-2-one
PubChem CID66641504
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name6-(prop-2-enylamino)-1H-pyrimidin-2-one
SMILESC=CCNc1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-2-4-8-6-3-5-9-7(11)10-6/h2-3,5H,1,4H2,(H2,8,9,10,11)
InChIKeyNOMGZRHONAMYTM-UHFFFAOYSA-N
XLogP0.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(prop-2-enylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(prop-2-enylamino)-1H-pyrimidin-2-one (CID 66641504) is 6-(prop-2-enylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(prop-2-enylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(prop-2-enylamino)-1H-pyrimidin-2-one is C=CCNc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(prop-2-enylamino)-1H-pyrimidin-2-one?
The InChIKey is NOMGZRHONAMYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-4-8-6-3-5-9-7(11)10-6/h2-3,5H,1,4H2,(H2,8,9,10,11).
What are the key properties of 6-(prop-2-enylamino)-1H-pyrimidin-2-one?
6-(prop-2-enylamino)-1H-pyrimidin-2-one has a molecular weight of 151.17 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(prop-2-enylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 66641504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).