N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine

C20H17N5 — CID 796113

IUPACN-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H17N5/c1-15-8-10-17(11-9-15)22-18-14-19(25-13-5-12-21-25)24-20(23-18)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,23,24)
InChIKeyXRFQKXXHOKBDBB-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.38
Rot. Bonds4

About N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine

N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 796113) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
PubChem CID796113
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC NameN-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H17N5/c1-15-8-10-17(11-9-15)22-18-14-19(25-13-5-12-21-25)24-20(23-18)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,23,24)
InChIKeyXRFQKXXHOKBDBB-UHFFFAOYSA-N
XLogP4.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 1082032
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 796111
4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 99980122
1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 121072953
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852761
N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880969
4-phenyl-2,6-di(pyrazol-1-yl)pyridine
CID 123601747
N-methyl-6-(3-methylpyrazol-1-yl)-2-phenylpyrimidin-4-amine
CID 115915799
N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 121072741
2,2-dimethyl-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 121072744

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine (CID 796113) is N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine is Cc1ccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is XRFQKXXHOKBDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-15-8-10-17(11-9-15)22-18-14-19(25-13-5-12-21-25)24-20(23-18)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,23,24).
What are the key properties of N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 796113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).