4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride

C11H14ClN5 — CID 3071755

IUPAC4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride
SMILESCl.c1cn(-c2ccnc(N3CCCC3)n2)cn1
InChIInChI=1S/C11H13N5.ClH/c1-2-7-15(6-1)11-13-4-3-10(14-11)16-8-5-12-9-16;/h3-5,8-9H,1-2,6-7H2;1H
InChIKeyMXYUWTSFQUDURO-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.68
Rot. Bonds2

About 4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride

4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride (PubChem CID 3071755) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride
PubChem CID3071755
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride
SMILESCl.c1cn(-c2ccnc(N3CCCC3)n2)cn1
InChIInChI=1S/C11H13N5.ClH/c1-2-7-15(6-1)11-13-4-3-10(14-11)16-8-5-12-9-16;/h3-5,8-9H,1-2,6-7H2;1H
InChIKeyMXYUWTSFQUDURO-UHFFFAOYSA-N
XLogP1.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.68
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-2-pyrrolidin-1-ylpyrimidine;hydrochloride?
The IUPAC name of 4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride (CID 3071755) is 4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride.
What is the SMILES notation for 4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride?
The canonical SMILES for 4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride is Cl.c1cn(-c2ccnc(N3CCCC3)n2)cn1.
What is the InChIKey of 4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride?
The InChIKey is MXYUWTSFQUDURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5.ClH/c1-2-7-15(6-1)11-13-4-3-10(14-11)16-8-5-12-9-16;/h3-5,8-9H,1-2,6-7H2;1H.
What are the key properties of 4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride?
4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 1.68, 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-pyrrolidin-1-ylpyrimidine;hydrochloride is sourced from PubChem (CID 3071755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).