2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine

C13H13ClFN3O — CID 175572906

IUPAC2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine
SMILESCc1cc(-c2nc(Cl)ncc2F)cnc1OC(C)C
InChIInChI=1S/C13H13ClFN3O/c1-7(2)19-12-8(3)4-9(5-16-12)11-10(15)6-17-13(14)18-11/h4-7H,1-3H3
InChIKeyVEQNDCZPGFMBKJ-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine

2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine (PubChem CID 175572906) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine
PubChem CID175572906
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine
SMILESCc1cc(-c2nc(Cl)ncc2F)cnc1OC(C)C
InChIInChI=1S/C13H13ClFN3O/c1-7(2)19-12-8(3)4-9(5-16-12)11-10(15)6-17-13(14)18-11/h4-7H,1-3H3
InChIKeyVEQNDCZPGFMBKJ-UHFFFAOYSA-N
XLogP3.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine
CID 79079530
5-fluoro-3-methyl-2-propan-2-yloxypyridine
CID 130057948
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
CID 175557907
2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 79079653
5-methyl-6-propan-2-yloxypyridin-3-amine
CID 62475577
5-chloro-2-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-methylpyrazine
CID 153370796
2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
CID 86219997
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155282165
5-(2-chloro-5-fluoropyrimidin-4-yl)-7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155281833
4-(2-chloro-5-fluoropyrimidin-4-yl)-N,N-dimethylaniline
CID 79073427
2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine
CID 58876902
2-chloro-5-fluoro-4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidine
CID 130301051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine (CID 175572906) is 2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine is Cc1cc(-c2nc(Cl)ncc2F)cnc1OC(C)C.
What is the InChIKey of 2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine?
The InChIKey is VEQNDCZPGFMBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-7(2)19-12-8(3)4-9(5-16-12)11-10(15)6-17-13(14)18-11/h4-7H,1-3H3.
What are the key properties of 2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine?
2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine has a molecular weight of 281.72 g/mol, XLogP of 3.43, 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-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine is sourced from PubChem (CID 175572906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).