5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one

C7H7ClN2O2 — CID 10149050

IUPAC5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(O)c1Cl
InChIInChI=1S/C7H7ClN2O2/c8-4-6(11)9-5(3-1-2-3)10-7(4)12/h3H,1-2H2,(H2,9,10,11,12)
InChIKeyNDOMBMSWSYCFFP-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.01
Rot. Bonds1

About 5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one

5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 10149050) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID10149050
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(O)c1Cl
InChIInChI=1S/C7H7ClN2O2/c8-4-6(11)9-5(3-1-2-3)10-7(4)12/h3H,1-2H2,(H2,9,10,11,12)
InChIKeyNDOMBMSWSYCFFP-UHFFFAOYSA-N
XLogP1.01
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one (CID 10149050) is 5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(C2CC2)nc(O)c1Cl.
What is the InChIKey of 5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is NDOMBMSWSYCFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-4-6(11)9-5(3-1-2-3)10-7(4)12/h3H,1-2H2,(H2,9,10,11,12).
What are the key properties of 5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one?
5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 186.60 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 10149050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).