2-cyclopropyl-1H-pyrimidine-4,6-dione

C7H8N2O2 — CID 42609068

IUPAC2-cyclopropyl-1H-pyrimidine-4,6-dione
SMILESO=C1CC(=O)NC(C2CC2)=N1
InChIInChI=1S/C7H8N2O2/c10-5-3-6(11)9-7(8-5)4-1-2-4/h4H,1-3H2,(H,8,9,10,11)
InChIKeyYHLOAUMRJFRAHR-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.16
Rot. Bonds1

About 2-cyclopropyl-1H-pyrimidine-4,6-dione

2-cyclopropyl-1H-pyrimidine-4,6-dione (PubChem CID 42609068) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-cyclopropyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-cyclopropyl-1H-pyrimidine-4,6-dione
PubChem CID42609068
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-cyclopropyl-1H-pyrimidine-4,6-dione
SMILESO=C1CC(=O)NC(C2CC2)=N1
InChIInChI=1S/C7H8N2O2/c10-5-3-6(11)9-7(8-5)4-1-2-4/h4H,1-3H2,(H,8,9,10,11)
InChIKeyYHLOAUMRJFRAHR-UHFFFAOYSA-N
XLogP-0.16
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-5-fluoro-1H-pyrimidine-4,6-dione
CID 85877733
2-ethyl-1H-pyrimidine-4,6-dione
CID 23031994
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
5-ethyl-2-methyl-1H-pyrimidine-4,6-dione
CID 75088261
2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione
CID 131291765
2-propyl-1H-pyrimidine-4,6-dione
CID 134558394
2,5-di(propan-2-yl)-1H-pyrimidine-4,6-dione
CID 172096036
2-(2-Aminoethyl)-5-methylpyrimidine-4,6(1H,5H)-dione
CID 71757361
6-(2-Aminoethyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
CID 79500752
6-(3-Aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
CID 79500759
2-(3-aminopropyl)-5-methyl-1H-pyrimidine-4,6-dione
CID 79501561
6-(1-Aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
CID 79501743

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-cyclopropyl-1H-pyrimidine-4,6-dione (CID 42609068) is 2-cyclopropyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-cyclopropyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-cyclopropyl-1H-pyrimidine-4,6-dione is O=C1CC(=O)NC(C2CC2)=N1.
What is the InChIKey of 2-cyclopropyl-1H-pyrimidine-4,6-dione?
The InChIKey is YHLOAUMRJFRAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-5-3-6(11)9-7(8-5)4-1-2-4/h4H,1-3H2,(H,8,9,10,11).
What are the key properties of 2-cyclopropyl-1H-pyrimidine-4,6-dione?
2-cyclopropyl-1H-pyrimidine-4,6-dione has a molecular weight of 152.15 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 42609068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).