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

C10H12BrClN2O2 — CID 66293236

IUPAC5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine
SMILESCOCc1nc(C2CCOC2)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClN2O2/c1-15-5-7-8(11)9(12)14-10(13-7)6-2-3-16-4-6/h6H,2-5H2,1H3
InChIKeyKYCYDNPRAMHYJV-UHFFFAOYSA-N
MW307.58 g/mol
LogP2.54
Rot. Bonds3

About 5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine

5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine (PubChem CID 66293236) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine
PubChem CID66293236
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Name5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine
SMILESCOCc1nc(C2CCOC2)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClN2O2/c1-15-5-7-8(11)9(12)14-10(13-7)6-2-3-16-4-6/h6H,2-5H2,1H3
InChIKeyKYCYDNPRAMHYJV-UHFFFAOYSA-N
XLogP2.54
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2-methyl-5H,7H-furo[3,4-D]pyrimidine
CID 21554597
4-Chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine
CID 66292233
5-Bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
CID 66294674
5-Bromo-4-chloro-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidine
CID 79954590
5-Bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine
CID 103146728
4-Chloro-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
CID 103146729
5-Bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473583
5-Bromo-4-chloro-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
CID 113780676
4-Chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-(methoxymethyl)pyrimidine
CID 113780677
5-Bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 113819721
5-Bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine
CID 86761728
4-Chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine
CID 62320141

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine (CID 66293236) is 5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine is COCc1nc(C2CCOC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine?
The InChIKey is KYCYDNPRAMHYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/c1-15-5-7-8(11)9(12)14-10(13-7)6-2-3-16-4-6/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine?
5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine has a molecular weight of 307.58 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine is sourced from PubChem (CID 66293236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).