4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine

C32H25N5O — CID 155521809

IUPAC4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)cc(-c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C32H25N5O/c33-32-34-29(24-12-6-2-7-13-24)20-30(35-32)28-21-37(26-14-8-3-9-15-26)36-31(28)25-16-18-27(19-17-25)38-22-23-10-4-1-5-11-23/h1-21H,22H2,(H2,33,34,35)
InChIKeyWUHOQZCJWKCYCC-UHFFFAOYSA-N
MW495.59 g/mol
LogP6.82
Rot. Bonds7

About 4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine

4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 155521809) has the molecular formula C32H25N5O and a molecular weight of 495.59 g/mol. Its IUPAC name is 4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID155521809
Molecular FormulaC32H25N5O
Molecular Weight495.59 g/mol
Exact Mass495.21
IUPAC Name4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)cc(-c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C32H25N5O/c33-32-34-29(24-12-6-2-7-13-24)20-30(35-32)28-21-37(26-14-8-3-9-15-26)36-31(28)25-16-18-27(19-17-25)38-22-23-10-4-1-5-11-23/h1-21H,22H2,(H2,33,34,35)
InChIKeyWUHOQZCJWKCYCC-UHFFFAOYSA-N
XLogP6.82
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.59
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine (CID 155521809) is 4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine is Nc1nc(-c2ccccc2)cc(-c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is WUHOQZCJWKCYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N5O/c33-32-34-29(24-12-6-2-7-13-24)20-30(35-32)28-21-37(26-14-8-3-9-15-26)36-31(28)25-16-18-27(19-17-25)38-22-23-10-4-1-5-11-23/h1-21H,22H2,(H2,33,34,35).
What are the key properties of 4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine?
4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 495.59 g/mol, XLogP of 6.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 155521809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).