5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine

C20H23N5 — CID 45196000

IUPAC5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine
SMILESCc1cnc(N2CCCC(c3ccccc3)C2)nc1-c1ccnn1C
InChIInChI=1S/C20H23N5/c1-15-13-21-20(23-19(15)18-10-11-22-24(18)2)25-12-6-9-17(14-25)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3
InChIKeyPQWFHKLECWYJQL-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.57
Rot. Bonds3

About 5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine

5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine (PubChem CID 45196000) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine
PubChem CID45196000
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine
SMILESCc1cnc(N2CCCC(c3ccccc3)C2)nc1-c1ccnn1C
InChIInChI=1S/C20H23N5/c1-15-13-21-20(23-19(15)18-10-11-22-24(18)2)25-12-6-9-17(14-25)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3
InChIKeyPQWFHKLECWYJQL-UHFFFAOYSA-N
XLogP3.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine (CID 45196000) is 5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine is Cc1cnc(N2CCCC(c3ccccc3)C2)nc1-c1ccnn1C.
What is the InChIKey of 5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine?
The InChIKey is PQWFHKLECWYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-15-13-21-20(23-19(15)18-10-11-22-24(18)2)25-12-6-9-17(14-25)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3.
What are the key properties of 5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine?
5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine has a molecular weight of 333.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylpyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 45196000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).