4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine

C21H18FN5O — CID 66503231

IUPAC4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nccc(-c2cn(-c3cccc(F)c3)nc2C)n1
InChIInChI=1S/C21H18FN5O/c1-14-17(13-27(26-14)16-7-5-6-15(22)12-16)18-10-11-23-21(24-18)25-19-8-3-4-9-20(19)28-2/h3-13H,1-2H3,(H,23,24,25)
InChIKeyLMJYWFIGUFCOGU-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.53
Rot. Bonds5

About 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine

4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine (PubChem CID 66503231) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine
PubChem CID66503231
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nccc(-c2cn(-c3cccc(F)c3)nc2C)n1
InChIInChI=1S/C21H18FN5O/c1-14-17(13-27(26-14)16-7-5-6-15(22)12-16)18-10-11-23-21(24-18)25-19-8-3-4-9-20(19)28-2/h3-13H,1-2H3,(H,23,24,25)
InChIKeyLMJYWFIGUFCOGU-UHFFFAOYSA-N
XLogP4.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine (CID 66503231) is 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine is COc1ccccc1Nc1nccc(-c2cn(-c3cccc(F)c3)nc2C)n1.
What is the InChIKey of 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is LMJYWFIGUFCOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-14-17(13-27(26-14)16-7-5-6-15(22)12-16)18-10-11-23-21(24-18)25-19-8-3-4-9-20(19)28-2/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine?
4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 375.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 66503231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).