6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione

C7H7ClN2O2 — CID 71480123

IUPAC6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1C1CC1
InChIInChI=1S/C7H7ClN2O2/c8-5-3-6(11)10(4-1-2-4)7(12)9-5/h3-4H,1-2H2,(H,9,12)
InChIKeyPWFSZXGUGONTDI-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.52
Rot. Bonds1

About 6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione

6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione (PubChem CID 71480123) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione
PubChem CID71480123
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1C1CC1
InChIInChI=1S/C7H7ClN2O2/c8-5-3-6(11)10(4-1-2-4)7(12)9-5/h3-4H,1-2H2,(H,9,12)
InChIKeyPWFSZXGUGONTDI-UHFFFAOYSA-N
XLogP0.52
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione (CID 71480123) is 6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione is O=c1cc(Cl)[nH]c(=O)n1C1CC1.
What is the InChIKey of 6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione?
The InChIKey is PWFSZXGUGONTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-5-3-6(11)10(4-1-2-4)7(12)9-5/h3-4H,1-2H2,(H,9,12).
What are the key properties of 6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione?
6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione has a molecular weight of 186.60 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 71480123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).