N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

C20H17N5 — CID 5329414

IUPACN-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1Nc1nccc(-n2ccnc2-c2ccccc2)n1
InChIInChI=1S/C20H17N5/c1-15-7-5-6-10-17(15)23-20-22-12-11-18(24-20)25-14-13-21-19(25)16-8-3-2-4-9-16/h2-14H,1H3,(H,22,23,24)
InChIKeyJEONYQRJFFVSNU-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.38
Rot. Bonds4

About N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 5329414) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
PubChem CID5329414
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC NameN-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1Nc1nccc(-n2ccnc2-c2ccccc2)n1
InChIInChI=1S/C20H17N5/c1-15-7-5-6-10-17(15)23-20-22-12-11-18(24-20)25-14-13-21-19(25)16-8-3-2-4-9-16/h2-14H,1H3,(H,22,23,24)
InChIKeyJEONYQRJFFVSNU-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (CID 5329414) is N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is Cc1ccccc1Nc1nccc(-n2ccnc2-c2ccccc2)n1.
What is the InChIKey of N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is JEONYQRJFFVSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-15-7-5-6-10-17(15)23-20-22-12-11-18(24-20)25-14-13-21-19(25)16-8-3-2-4-9-16/h2-14H,1H3,(H,22,23,24).
What are the key properties of N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
N-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-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-(2-methylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5329414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).