4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine

C19H17F2N5O2 — CID 90282549

IUPAC4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine
SMILESCOc1cc(-c2cnc(C3(c4ncccc4F)CC(F)C3)nc2)nc(OC)n1
InChIInChI=1S/C19H17F2N5O2/c1-27-15-6-14(25-18(26-15)28-2)11-9-23-17(24-10-11)19(7-12(20)8-19)16-13(21)4-3-5-22-16/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyDODSJGZNKRCKLG-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.90
Rot. Bonds5

About 4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine

4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine (PubChem CID 90282549) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine
PubChem CID90282549
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine
SMILESCOc1cc(-c2cnc(C3(c4ncccc4F)CC(F)C3)nc2)nc(OC)n1
InChIInChI=1S/C19H17F2N5O2/c1-27-15-6-14(25-18(26-15)28-2)11-9-23-17(24-10-11)19(7-12(20)8-19)16-13(21)4-3-5-22-16/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyDODSJGZNKRCKLG-UHFFFAOYSA-N
XLogP2.90
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 162537578
[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methanamine
CID 67453255
2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine
CID 166859597
2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3-benzothiazole-5-carbonitrile
CID 70974800
6-(5-bromo-2-fluoro-4-methoxyphenyl)-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine
CID 121285998
2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
CID 67457645
methyl 3-(3-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 123958944
3-fluoro-2-(1-methylcyclobutyl)pyridine
CID 90282613
4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine
CID 116896805
1-(3-fluoro-2-pyridinyl)-3-hydroxycyclobutane-1-carbonitrile
CID 67453032
2-methoxy-5-(2-methyl-3-pyridinyl)pyridine
CID 90167711
N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 169411913

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine?
The IUPAC name of 4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine (CID 90282549) is 4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine is COc1cc(-c2cnc(C3(c4ncccc4F)CC(F)C3)nc2)nc(OC)n1.
What is the InChIKey of 4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine?
The InChIKey is DODSJGZNKRCKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-27-15-6-14(25-18(26-15)28-2)11-9-23-17(24-10-11)19(7-12(20)8-19)16-13(21)4-3-5-22-16/h3-6,9-10,12H,7-8H2,1-2H3.
What are the key properties of 4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine?
4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine has a molecular weight of 385.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]pyrimidin-5-yl]-2,6-dimethoxypyrimidine is sourced from PubChem (CID 90282549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).