4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine

C11H13N5 — CID 10727416

IUPAC4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine
SMILESc1cn(-c2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C11H13N5/c1-2-5-15(4-1)10-7-11(14-8-13-10)16-6-3-12-9-16/h3,6-9H,1-2,4-5H2
InChIKeyDOQHFVPGEPFVKM-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.26
Rot. Bonds2

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

4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 10727416) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine
PubChem CID10727416
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine
SMILESc1cn(-c2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C11H13N5/c1-2-5-15(4-1)10-7-11(14-8-13-10)16-6-3-12-9-16/h3,6-9H,1-2,4-5H2
InChIKeyDOQHFVPGEPFVKM-UHFFFAOYSA-N
XLogP1.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.26
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-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine (CID 10727416) is 4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine is c1cn(-c2cc(N3CCCC3)ncn2)cn1.
What is the InChIKey of 4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is DOQHFVPGEPFVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-5-15(4-1)10-7-11(14-8-13-10)16-6-3-12-9-16/h3,6-9H,1-2,4-5H2.
What are the key properties of 4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine?
4-imidazol-1-yl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 215.26 g/mol, XLogP of 1.26, 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-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 10727416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).