N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine

C20H17N5 — CID 796111

IUPACN-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESc1ccc(CNc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H17N5/c1-3-8-16(9-4-1)15-21-18-14-19(25-13-7-12-22-25)24-20(23-18)17-10-5-2-6-11-17/h1-14H,15H2,(H,21,23,24)
InChIKeyHZUYAILRHJSXJH-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.94
Rot. Bonds5

About N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine

N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 796111) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
PubChem CID796111
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC NameN-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESc1ccc(CNc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H17N5/c1-3-8-16(9-4-1)15-21-18-14-19(25-13-7-12-22-25)24-20(23-18)17-10-5-2-6-11-17/h1-14H,15H2,(H,21,23,24)
InChIKeyHZUYAILRHJSXJH-UHFFFAOYSA-N
XLogP3.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine
CID 1376772
N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 796113
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
6-(4-methylpiperazin-1-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112880940
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112881416
4-phenyl-2,6-di(pyrazol-1-yl)pyridine
CID 123601747
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 1378888
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881231
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine (CID 796111) is N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine is c1ccc(CNc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is HZUYAILRHJSXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-3-8-16(9-4-1)15-21-18-14-19(25-13-7-12-22-25)24-20(23-18)17-10-5-2-6-11-17/h1-14H,15H2,(H,21,23,24).
What are the key properties of N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 796111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).