4-imidazol-1-yl-6-piperidin-1-ylpyrimidine

C12H15N5 — CID 10609459

IUPAC4-imidazol-1-yl-6-piperidin-1-ylpyrimidine
SMILESc1cn(-c2cc(N3CCCCC3)ncn2)cn1
InChIInChI=1S/C12H15N5/c1-2-5-16(6-3-1)11-8-12(15-9-14-11)17-7-4-13-10-17/h4,7-10H,1-3,5-6H2
InChIKeyXZCZFFPLNZCGKC-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.65
Rot. Bonds2

About 4-imidazol-1-yl-6-piperidin-1-ylpyrimidine

4-imidazol-1-yl-6-piperidin-1-ylpyrimidine (PubChem CID 10609459) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-piperidin-1-ylpyrimidine
PubChem CID10609459
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-imidazol-1-yl-6-piperidin-1-ylpyrimidine
SMILESc1cn(-c2cc(N3CCCCC3)ncn2)cn1
InChIInChI=1S/C12H15N5/c1-2-5-16(6-3-1)11-8-12(15-9-14-11)17-7-4-13-10-17/h4,7-10H,1-3,5-6H2
InChIKeyXZCZFFPLNZCGKC-UHFFFAOYSA-N
XLogP1.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-piperidin-1-ylpyrimidine (CID 10609459) is 4-imidazol-1-yl-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-piperidin-1-ylpyrimidine is c1cn(-c2cc(N3CCCCC3)ncn2)cn1.
What is the InChIKey of 4-imidazol-1-yl-6-piperidin-1-ylpyrimidine?
The InChIKey is XZCZFFPLNZCGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-5-16(6-3-1)11-8-12(15-9-14-11)17-7-4-13-10-17/h4,7-10H,1-3,5-6H2.
What are the key properties of 4-imidazol-1-yl-6-piperidin-1-ylpyrimidine?
4-imidazol-1-yl-6-piperidin-1-ylpyrimidine has a molecular weight of 229.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 10609459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).