6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C20H17N5 — CID 10131417

IUPAC6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H17N5/c1-14-12-18(23-20(21-14)16-10-6-3-7-11-16)22-19-13-17(24-25-19)15-8-4-2-5-9-15/h2-13H,1H3,(H2,21,22,23,24,25)
InChIKeyCIYDYDIDDPJYLP-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.59
Rot. Bonds4

About 6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine

6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 10131417) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID10131417
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H17N5/c1-14-12-18(23-20(21-14)16-10-6-3-7-11-16)22-19-13-17(24-25-19)15-8-4-2-5-9-15/h2-13H,1H3,(H2,21,22,23,24,25)
InChIKeyCIYDYDIDDPJYLP-UHFFFAOYSA-N
XLogP4.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 10131417) is 6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is CIYDYDIDDPJYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-14-12-18(23-20(21-14)16-10-6-3-7-11-16)22-19-13-17(24-25-19)15-8-4-2-5-9-15/h2-13H,1H3,(H2,21,22,23,24,25).
What are the key properties of 6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 10131417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).