4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine

C22H21N5O — CID 10292620

IUPAC4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3cn(Cc4ccccc4)nc3C)n2)cc1
InChIInChI=1S/C22H21N5O/c1-16-20(15-27(26-16)14-17-6-4-3-5-7-17)21-12-13-23-22(25-21)24-18-8-10-19(28-2)11-9-18/h3-13,15H,14H2,1-2H3,(H,23,24,25)
InChIKeyAFZBMIWGMLCIOA-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.45
Rot. Bonds6

About 4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine

4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 10292620) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID10292620
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3cn(Cc4ccccc4)nc3C)n2)cc1
InChIInChI=1S/C22H21N5O/c1-16-20(15-27(26-16)14-17-6-4-3-5-7-17)21-12-13-23-22(25-21)24-18-8-10-19(28-2)11-9-18/h3-13,15H,14H2,1-2H3,(H,23,24,25)
InChIKeyAFZBMIWGMLCIOA-UHFFFAOYSA-N
XLogP4.45
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine (CID 10292620) is 4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(Nc2nccc(-c3cn(Cc4ccccc4)nc3C)n2)cc1.
What is the InChIKey of 4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is AFZBMIWGMLCIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-16-20(15-27(26-16)14-17-6-4-3-5-7-17)21-12-13-23-22(25-21)24-18-8-10-19(28-2)11-9-18/h3-13,15H,14H2,1-2H3,(H,23,24,25).
What are the key properties of 4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine?
4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 371.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 10292620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).