4-imidazol-1-yl-2-piperidin-1-ylpyrimidine

C12H15N5 — CID 3071752

IUPAC4-imidazol-1-yl-2-piperidin-1-ylpyrimidine
SMILESc1cn(-c2ccnc(N3CCCCC3)n2)cn1
InChIInChI=1S/C12H15N5/c1-2-7-16(8-3-1)12-14-5-4-11(15-12)17-9-6-13-10-17/h4-6,9-10H,1-3,7-8H2
InChIKeyJFYCLSQDHBWUFG-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.65
Rot. Bonds2

About 4-imidazol-1-yl-2-piperidin-1-ylpyrimidine

4-imidazol-1-yl-2-piperidin-1-ylpyrimidine (PubChem CID 3071752) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-2-piperidin-1-ylpyrimidine
PubChem CID3071752
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-imidazol-1-yl-2-piperidin-1-ylpyrimidine
SMILESc1cn(-c2ccnc(N3CCCCC3)n2)cn1
InChIInChI=1S/C12H15N5/c1-2-7-16(8-3-1)12-14-5-4-11(15-12)17-9-6-13-10-17/h4-6,9-10H,1-3,7-8H2
InChIKeyJFYCLSQDHBWUFG-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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Related Compounds

2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine
CID 167777884
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 167960881
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)azepane
CID 22488899
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
1-(4-imidazol-1-yl-6-methoxy-1,3,5-triazin-2-yl)azepane
CID 30106396

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-imidazol-1-yl-2-piperidin-1-ylpyrimidine (CID 3071752) is 4-imidazol-1-yl-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-imidazol-1-yl-2-piperidin-1-ylpyrimidine is c1cn(-c2ccnc(N3CCCCC3)n2)cn1.
What is the InChIKey of 4-imidazol-1-yl-2-piperidin-1-ylpyrimidine?
The InChIKey is JFYCLSQDHBWUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-7-16(8-3-1)12-14-5-4-11(15-12)17-9-6-13-10-17/h4-6,9-10H,1-3,7-8H2.
What are the key properties of 4-imidazol-1-yl-2-piperidin-1-ylpyrimidine?
4-imidazol-1-yl-2-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-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 3071752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).