(5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate

C8H7ClN2O4 — CID 67426159

IUPAC(5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate
SMILESO=C(O)Oc1nc(C2CC2)[nH]c(=O)c1Cl
InChIInChI=1S/C8H7ClN2O4/c9-4-6(12)10-5(3-1-2-3)11-7(4)15-8(13)14/h3H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyQDZOBRRCKQPGMP-UHFFFAOYSA-N
MW230.61 g/mol
LogP1.36
Rot. Bonds2

About (5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate

(5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate (PubChem CID 67426159) has the molecular formula C8H7ClN2O4 and a molecular weight of 230.61 g/mol. Its IUPAC name is (5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate
PubChem CID67426159
Molecular FormulaC8H7ClN2O4
Molecular Weight230.61 g/mol
Exact Mass230.01
IUPAC Name(5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate
SMILESO=C(O)Oc1nc(C2CC2)[nH]c(=O)c1Cl
InChIInChI=1S/C8H7ClN2O4/c9-4-6(12)10-5(3-1-2-3)11-7(4)15-8(13)14/h3H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyQDZOBRRCKQPGMP-UHFFFAOYSA-N
XLogP1.36
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.61
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-cyclopropyl-6-hydroxy-4(3h)-pyrimidinone
CID 10149050
(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate
CID 67425406

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate?
The IUPAC name of (5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate (CID 67426159) is (5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate.
What is the SMILES notation for (5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate?
The canonical SMILES for (5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate is O=C(O)Oc1nc(C2CC2)[nH]c(=O)c1Cl.
What is the InChIKey of (5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate?
The InChIKey is QDZOBRRCKQPGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O4/c9-4-6(12)10-5(3-1-2-3)11-7(4)15-8(13)14/h3H,1-2H2,(H,13,14)(H,10,11,12).
What are the key properties of (5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate?
(5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate has a molecular weight of 230.61 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate is sourced from PubChem (CID 67426159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).