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

C8H8N2O4 — CID 67425406

IUPAC(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate
SMILESO=C(O)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C8H8N2O4/c11-5-3-6(14-8(12)13)10-7(9-5)4-1-2-4/h3-4H,1-2H2,(H,12,13)(H,9,10,11)
InChIKeyUKBNDMDZSMBXJA-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.70
Rot. Bonds2

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

(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate (PubChem CID 67425406) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is (2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate
PubChem CID67425406
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate
SMILESO=C(O)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C8H8N2O4/c11-5-3-6(14-8(12)13)10-7(9-5)4-1-2-4/h3-4H,1-2H2,(H,12,13)(H,9,10,11)
InChIKeyUKBNDMDZSMBXJA-UHFFFAOYSA-N
XLogP0.70
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate?
The IUPAC name of (2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate (CID 67425406) is (2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate.
What is the SMILES notation for (2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate?
The canonical SMILES for (2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate is O=C(O)Oc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of (2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate?
The InChIKey is UKBNDMDZSMBXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-5-3-6(14-8(12)13)10-7(9-5)4-1-2-4/h3-4H,1-2H2,(H,12,13)(H,9,10,11).
What are the key properties of (2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate?
(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate has a molecular weight of 196.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate is sourced from PubChem (CID 67425406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).