2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine

C14H19N5O — CID 91832687

IUPAC2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine
SMILESCc1[nH]cnc1CN1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H19N5O/c1-11-13(18-10-17-11)9-19-7-3-12(4-8-19)20-14-15-5-2-6-16-14/h2,5-6,10,12H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyZKMJSBBTEVZMJR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.55
Rot. Bonds4

About 2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine

2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine (PubChem CID 91832687) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine
PubChem CID91832687
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine
SMILESCc1[nH]cnc1CN1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H19N5O/c1-11-13(18-10-17-11)9-19-7-3-12(4-8-19)20-14-15-5-2-6-16-14/h2,5-6,10,12H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyZKMJSBBTEVZMJR-UHFFFAOYSA-N
XLogP1.55
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine?
The IUPAC name of 2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine (CID 91832687) is 2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine?
The canonical SMILES for 2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine is Cc1[nH]cnc1CN1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine?
The InChIKey is ZKMJSBBTEVZMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-13(18-10-17-11)9-19-7-3-12(4-8-19)20-14-15-5-2-6-16-14/h2,5-6,10,12H,3-4,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine?
2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine has a molecular weight of 273.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 91832687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).