2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine

C10H8ClFN4O2 — CID 166859597

IUPAC2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine
SMILESCOc1cc(-c2nc(Cl)ncc2F)nc(OC)n1
InChIInChI=1S/C10H8ClFN4O2/c1-17-7-3-6(14-10(15-7)18-2)8-5(12)4-13-9(11)16-8/h3-4H,1-2H3
InChIKeyQYEJFEYSXFQMHN-UHFFFAOYSA-N
MW270.65 g/mol
LogP1.74
Rot. Bonds3

About 2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine

2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine (PubChem CID 166859597) has the molecular formula C10H8ClFN4O2 and a molecular weight of 270.65 g/mol. Its IUPAC name is 2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine
PubChem CID166859597
Molecular FormulaC10H8ClFN4O2
Molecular Weight270.65 g/mol
Exact Mass270.03
IUPAC Name2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine
SMILESCOc1cc(-c2nc(Cl)ncc2F)nc(OC)n1
InChIInChI=1S/C10H8ClFN4O2/c1-17-7-3-6(14-10(15-7)18-2)8-5(12)4-13-9(11)16-8/h3-4H,1-2H3
InChIKeyQYEJFEYSXFQMHN-UHFFFAOYSA-N
XLogP1.74
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 79079653
2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine
CID 135283311
2-chloro-4-(2-chloro-5-fluorophenyl)-5-fluoropyrimidine
CID 105396029
2-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-ylquinoline
CID 170319291
6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine
CID 155281818
2-chloro-5-fluoro-4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidine
CID 130301051
2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 162537578
2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
CID 86219997
2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine
CID 79079530
4-(2-chloro-5-fluoropyrimidin-4-yl)-N,N-dimethylaniline
CID 79073427
2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine
CID 175572906
2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine
CID 79078918

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine (CID 166859597) is 2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine is COc1cc(-c2nc(Cl)ncc2F)nc(OC)n1.
What is the InChIKey of 2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine?
The InChIKey is QYEJFEYSXFQMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O2/c1-17-7-3-6(14-10(15-7)18-2)8-5(12)4-13-9(11)16-8/h3-4H,1-2H3.
What are the key properties of 2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine?
2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine has a molecular weight of 270.65 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine is sourced from PubChem (CID 166859597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).