2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one

C7H9ClN2O2 — CID 172586786

IUPAC2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCC(C)Oc1cnc(Cl)[nH]c1=O
InChIInChI=1S/C7H9ClN2O2/c1-4(2)12-5-3-9-7(8)10-6(5)11/h3-4H,1-2H3,(H,9,10,11)
InChIKeyHGOVVWZNGAZFGR-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.21
Rot. Bonds2

About 2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one

2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 172586786) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one
PubChem CID172586786
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCC(C)Oc1cnc(Cl)[nH]c1=O
InChIInChI=1S/C7H9ClN2O2/c1-4(2)12-5-3-9-7(8)10-6(5)11/h3-4H,1-2H3,(H,9,10,11)
InChIKeyHGOVVWZNGAZFGR-UHFFFAOYSA-N
XLogP1.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one (CID 172586786) is 2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one is CC(C)Oc1cnc(Cl)[nH]c1=O.
What is the InChIKey of 2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is HGOVVWZNGAZFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-4(2)12-5-3-9-7(8)10-6(5)11/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of 2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one?
2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 188.61 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 172586786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).