2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine

C10H12ClFN2O2 — CID 79081513

IUPAC2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
SMILESFc1cnc(Cl)nc1OCC1CCCCO1
InChIInChI=1S/C10H12ClFN2O2/c11-10-13-5-8(12)9(14-10)16-6-7-3-1-2-4-15-7/h5,7H,1-4,6H2
InChIKeyNXRARLLEDHZOQZ-UHFFFAOYSA-N
MW246.67 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine

2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine (PubChem CID 79081513) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
PubChem CID79081513
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
SMILESFc1cnc(Cl)nc1OCC1CCCCO1
InChIInChI=1S/C10H12ClFN2O2/c11-10-13-5-8(12)9(14-10)16-6-7-3-1-2-4-15-7/h5,7H,1-4,6H2
InChIKeyNXRARLLEDHZOQZ-UHFFFAOYSA-N
XLogP2.22
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 79728314
2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
CID 103319749
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885
4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine
CID 63736573
2-[(4-chloro-3-fluorophenoxy)methyl]oxane
CID 82705903
2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79081086
3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine
CID 63271994
4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
CID 83152491
[3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine
CID 55058525
3-bromo-5-chloro-2-(oxolan-2-ylmethoxy)pyridine
CID 114837569
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine (CID 79081513) is 2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine is Fc1cnc(Cl)nc1OCC1CCCCO1.
What is the InChIKey of 2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine?
The InChIKey is NXRARLLEDHZOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c11-10-13-5-8(12)9(14-10)16-6-7-3-1-2-4-15-7/h5,7H,1-4,6H2.
What are the key properties of 2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine?
2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine has a molecular weight of 246.67 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine is sourced from PubChem (CID 79081513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).