6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one

C11H15ClN2O2 — CID 106930432

IUPAC6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1COCC1CC1
InChIInChI=1S/C11H15ClN2O2/c1-2-10-13-9(12)5-11(15)14(10)7-16-6-8-3-4-8/h5,8H,2-4,6-7H2,1H3
InChIKeyRHNDRUTXAHNJMZ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.84
Rot. Bonds5

About 6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one

6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one (PubChem CID 106930432) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one
PubChem CID106930432
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1COCC1CC1
InChIInChI=1S/C11H15ClN2O2/c1-2-10-13-9(12)5-11(15)14(10)7-16-6-8-3-4-8/h5,8H,2-4,6-7H2,1H3
InChIKeyRHNDRUTXAHNJMZ-UHFFFAOYSA-N
XLogP1.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one (CID 106930432) is 6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one is CCc1nc(Cl)cc(=O)n1COCC1CC1.
What is the InChIKey of 6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one?
The InChIKey is RHNDRUTXAHNJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-10-13-9(12)5-11(15)14(10)7-16-6-8-3-4-8/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one?
6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one has a molecular weight of 242.71 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one is sourced from PubChem (CID 106930432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).