(5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate

C10H13ClN2O3 — CID 10977702

IUPAC(5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOc1ncc(Cl)cn1
InChIInChI=1S/C10H13ClN2O3/c1-10(2,3)8(14)15-6-16-9-12-4-7(11)5-13-9/h4-5H,6H2,1-3H3
InChIKeyLQPWBAMBBLNNJO-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.06
Rot. Bonds3

About (5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate

(5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate (PubChem CID 10977702) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is (5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate
PubChem CID10977702
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name(5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOc1ncc(Cl)cn1
InChIInChI=1S/C10H13ClN2O3/c1-10(2,3)8(14)15-6-16-9-12-4-7(11)5-13-9/h4-5H,6H2,1-3H3
InChIKeyLQPWBAMBBLNNJO-UHFFFAOYSA-N
XLogP2.06
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate?
The IUPAC name of (5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate (CID 10977702) is (5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for (5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for (5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCOc1ncc(Cl)cn1.
What is the InChIKey of (5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate?
The InChIKey is LQPWBAMBBLNNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-10(2,3)8(14)15-6-16-9-12-4-7(11)5-13-9/h4-5H,6H2,1-3H3.
What are the key properties of (5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate?
(5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate has a molecular weight of 244.68 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10977702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).