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

C7H9N3O — CID 45076026

IUPAC2-(prop-2-enylamino)-1H-pyrimidin-6-one
SMILESC=CCNc1nccc(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-2-4-8-7-9-5-3-6(11)10-7/h2-3,5H,1,4H2,(H2,8,9,10,11)
InChIKeyWNLYMEQZEZYUGR-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.37
Rot. Bonds3

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

2-(prop-2-enylamino)-1H-pyrimidin-6-one (PubChem CID 45076026) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(prop-2-enylamino)-1H-pyrimidin-6-one
PubChem CID45076026
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-(prop-2-enylamino)-1H-pyrimidin-6-one
SMILESC=CCNc1nccc(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-2-4-8-7-9-5-3-6(11)10-7/h2-3,5H,1,4H2,(H2,8,9,10,11)
InChIKeyWNLYMEQZEZYUGR-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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Related Compounds

4-Hydroxypyrimidine
CID 20695
Isocytosine
CID 66950
2-(Dimethylamino)pyrimidin-4-ol
CID 817200
6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
5H,8H-imidazo[1,2-a]pyrimidin-5-one
CID 12258611
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
N-(6-Oxo-1,6-dihydropyrimidin-2-yl)urea
CID 22227528
Pyrimidine, 4-hydroxy-2-methylamino-
CID 14803475
Ctk1F7610
CID 12022219
4-Hydroxy-2-isopropylamino-pyrimidine
CID 1404214
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(prop-2-enylamino)-1H-pyrimidin-6-one (CID 45076026) is 2-(prop-2-enylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(prop-2-enylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(prop-2-enylamino)-1H-pyrimidin-6-one is C=CCNc1nccc(=O)[nH]1.
What is the InChIKey of 2-(prop-2-enylamino)-1H-pyrimidin-6-one?
The InChIKey is WNLYMEQZEZYUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-4-8-7-9-5-3-6(11)10-7/h2-3,5H,1,4H2,(H2,8,9,10,11).
What are the key properties of 2-(prop-2-enylamino)-1H-pyrimidin-6-one?
2-(prop-2-enylamino)-1H-pyrimidin-6-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 2-(prop-2-enylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 45076026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).