4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine

C20H23N5 — CID 20779024

IUPAC4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2cncnc2N2CCC(c3nc[nH]c3C)CC2)c1
InChIInChI=1S/C20H23N5/c1-14-4-3-5-17(10-14)18-11-21-12-24-20(18)25-8-6-16(7-9-25)19-15(2)22-13-23-19/h3-5,10-13,16H,6-9H2,1-2H3,(H,22,23)
InChIKeyRNYXPPQUXCPXMN-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.87
Rot. Bonds3

About 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine

4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine (PubChem CID 20779024) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine
PubChem CID20779024
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2cncnc2N2CCC(c3nc[nH]c3C)CC2)c1
InChIInChI=1S/C20H23N5/c1-14-4-3-5-17(10-14)18-11-21-12-24-20(18)25-8-6-16(7-9-25)19-15(2)22-13-23-19/h3-5,10-13,16H,6-9H2,1-2H3,(H,22,23)
InChIKeyRNYXPPQUXCPXMN-UHFFFAOYSA-N
XLogP3.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine?
The IUPAC name of 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine (CID 20779024) is 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine is Cc1cccc(-c2cncnc2N2CCC(c3nc[nH]c3C)CC2)c1.
What is the InChIKey of 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine?
The InChIKey is RNYXPPQUXCPXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-14-4-3-5-17(10-14)18-11-21-12-24-20(18)25-8-6-16(7-9-25)19-15(2)22-13-23-19/h3-5,10-13,16H,6-9H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine?
4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine has a molecular weight of 333.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 20779024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).