4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine

C10H13ClN2O2 — CID 62320141

IUPAC4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine
SMILESCOCc1cc(Cl)nc(C2CCOC2)n1
InChIInChI=1S/C10H13ClN2O2/c1-14-6-8-4-9(11)13-10(12-8)7-2-3-15-5-7/h4,7H,2-3,5-6H2,1H3
InChIKeySOOLVCVSFAMWGA-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.78
Rot. Bonds3

About 4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine

4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine (PubChem CID 62320141) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine
PubChem CID62320141
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine
SMILESCOCc1cc(Cl)nc(C2CCOC2)n1
InChIInChI=1S/C10H13ClN2O2/c1-14-6-8-4-9(11)13-10(12-8)7-2-3-15-5-7/h4,7H,2-3,5-6H2,1H3
InChIKeySOOLVCVSFAMWGA-UHFFFAOYSA-N
XLogP1.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine (CID 62320141) is 4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine is COCc1cc(Cl)nc(C2CCOC2)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine?
The InChIKey is SOOLVCVSFAMWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-14-6-8-4-9(11)13-10(12-8)7-2-3-15-5-7/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine?
4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine has a molecular weight of 228.68 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine is sourced from PubChem (CID 62320141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).