4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine

C20H23N5 — CID 161336018

IUPAC4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(N3CCC(c4cnc[nH]4)CC3)nc(C)n2)cc1
InChIInChI=1S/C20H23N5/c1-14-3-5-16(6-4-14)18-11-20(24-15(2)23-18)25-9-7-17(8-10-25)19-12-21-13-22-19/h3-6,11-13,17H,7-10H2,1-2H3,(H,21,22)
InChIKeyVMAUTJLTWZNKFZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.87
Rot. Bonds3

About 4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine

4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine (PubChem CID 161336018) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine
PubChem CID161336018
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(N3CCC(c4cnc[nH]4)CC3)nc(C)n2)cc1
InChIInChI=1S/C20H23N5/c1-14-3-5-16(6-4-14)18-11-20(24-15(2)23-18)25-9-7-17(8-10-25)19-12-21-13-22-19/h3-6,11-13,17H,7-10H2,1-2H3,(H,21,22)
InChIKeyVMAUTJLTWZNKFZ-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-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine?
The IUPAC name of 4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine (CID 161336018) is 4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine is Cc1ccc(-c2cc(N3CCC(c4cnc[nH]4)CC3)nc(C)n2)cc1.
What is the InChIKey of 4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine?
The InChIKey is VMAUTJLTWZNKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-14-3-5-16(6-4-14)18-11-20(24-15(2)23-18)25-9-7-17(8-10-25)19-12-21-13-22-19/h3-6,11-13,17H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine?
4-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-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-(1H-imidazol-5-yl)piperidin-1-yl]-2-methyl-6-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 161336018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).