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

C21H19N5 — CID 66559548

IUPAC4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine
SMILESCc1ccccc1-c1ccnc(NCc2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C21H19N5/c1-15-7-5-6-10-18(15)19-11-12-22-21(24-19)23-14-17-13-20(26-25-17)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyNNJWWUDHGARGDT-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.45
Rot. Bonds5

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

4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine (PubChem CID 66559548) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine
PubChem CID66559548
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine
SMILESCc1ccccc1-c1ccnc(NCc2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C21H19N5/c1-15-7-5-6-10-18(15)19-11-12-22-21(24-19)23-14-17-13-20(26-25-17)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyNNJWWUDHGARGDT-UHFFFAOYSA-N
XLogP4.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine (CID 66559548) is 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine is Cc1ccccc1-c1ccnc(NCc2cc(-c3ccccc3)n[nH]2)n1.
What is the InChIKey of 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine?
The InChIKey is NNJWWUDHGARGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-15-7-5-6-10-18(15)19-11-12-22-21(24-19)23-14-17-13-20(26-25-17)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine?
4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 66559548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).