(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

4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136729802
5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 143326587
2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286365
butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate
CID 67094429
2-cyclopentyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63612445
2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65390526
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137027779
4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770228
2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 65429882
2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride
CID 71755947
5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 66314710

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).