2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine

C19H22ClF2N5OSi — CID 162440754

IUPAC2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(-c2ccc(Nc3nc(Cl)ncc3F)cc2)c1F
InChIInChI=1S/C19H22ClF2N5OSi/c1-29(2,3)9-8-28-12-27-17(22)15(10-24-27)13-4-6-14(7-5-13)25-18-16(21)11-23-19(20)26-18/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,25,26)
InChIKeyAOJYVWIECRPZAS-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.33
Rot. Bonds8

About 2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine (PubChem CID 162440754) has the molecular formula C19H22ClF2N5OSi and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine
PubChem CID162440754
Molecular FormulaC19H22ClF2N5OSi
Molecular Weight437.95 g/mol
Exact Mass437.13
IUPAC Name2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(-c2ccc(Nc3nc(Cl)ncc3F)cc2)c1F
InChIInChI=1S/C19H22ClF2N5OSi/c1-29(2,3)9-8-28-12-27-17(22)15(10-24-27)13-4-6-14(7-5-13)25-18-16(21)11-23-19(20)26-18/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,25,26)
InChIKeyAOJYVWIECRPZAS-UHFFFAOYSA-N
XLogP5.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 79080683
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine
CID 87608860
N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine
CID 87335669
2-chloro-5-fluoro-N-naphthalen-2-ylpyrimidin-4-amine
CID 79081850
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
6-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazol-7-amine
CID 175233264
5-(2-amino-5-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 171757792
2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 175449028
tert-butyl 3-[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate
CID 175916540
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine (CID 162440754) is 2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine is C[Si](C)(C)CCOCn1ncc(-c2ccc(Nc3nc(Cl)ncc3F)cc2)c1F.
What is the InChIKey of 2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine?
The InChIKey is AOJYVWIECRPZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF2N5OSi/c1-29(2,3)9-8-28-12-27-17(22)15(10-24-27)13-4-6-14(7-5-13)25-18-16(21)11-23-19(20)26-18/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,25,26).
What are the key properties of 2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine has a molecular weight of 437.95 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 162440754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).