5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine

C13H17N5 — CID 53415039

IUPAC5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine
SMILESCn1ccnc1-c1cncnc1C1CCNCC1
InChIInChI=1S/C13H17N5/c1-18-7-6-16-13(18)11-8-15-9-17-12(11)10-2-4-14-5-3-10/h6-10,14H,2-5H2,1H3
InChIKeyPVQJAYNEPXWVBL-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.34
Rot. Bonds2

About 5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine

5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine (PubChem CID 53415039) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine
PubChem CID53415039
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine
SMILESCn1ccnc1-c1cncnc1C1CCNCC1
InChIInChI=1S/C13H17N5/c1-18-7-6-16-13(18)11-8-15-9-17-12(11)10-2-4-14-5-3-10/h6-10,14H,2-5H2,1H3
InChIKeyPVQJAYNEPXWVBL-UHFFFAOYSA-N
XLogP1.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine?
The IUPAC name of 5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine (CID 53415039) is 5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine?
The canonical SMILES for 5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine is Cn1ccnc1-c1cncnc1C1CCNCC1.
What is the InChIKey of 5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine?
The InChIKey is PVQJAYNEPXWVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-18-7-6-16-13(18)11-8-15-9-17-12(11)10-2-4-14-5-3-10/h6-10,14H,2-5H2,1H3.
What are the key properties of 5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine?
5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine is sourced from PubChem (CID 53415039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).