N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine

C22H21N5 — CID 1376772

IUPACN-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NCc3ccccc3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C22H21N5/c1-16-13-17(2)27(26-16)21-14-20(23-15-18-9-5-3-6-10-18)24-22(25-21)19-11-7-4-8-12-19/h3-14H,15H2,1-2H3,(H,23,24,25)
InChIKeyBLLBJBTUMDWCBT-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.56
Rot. Bonds5

About N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine

N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine (PubChem CID 1376772) has the molecular formula C22H21N5 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine
PubChem CID1376772
Molecular FormulaC22H21N5
Molecular Weight355.44 g/mol
Exact Mass355.18
IUPAC NameN-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NCc3ccccc3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C22H21N5/c1-16-13-17(2)27(26-16)21-14-20(23-15-18-9-5-3-6-10-18)24-22(25-21)19-11-7-4-8-12-19/h3-14H,15H2,1-2H3,(H,23,24,25)
InChIKeyBLLBJBTUMDWCBT-UHFFFAOYSA-N
XLogP4.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine (CID 1376772) is N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine is Cc1cc(C)n(-c2cc(NCc3ccccc3)nc(-c3ccccc3)n2)n1.
What is the InChIKey of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is BLLBJBTUMDWCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-16-13-17(2)27(26-16)21-14-20(23-15-18-9-5-3-6-10-18)24-22(25-21)19-11-7-4-8-12-19/h3-14H,15H2,1-2H3,(H,23,24,25).
What are the key properties of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine?
N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine has a molecular weight of 355.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 1376772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).