4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine

C12H15N5 — CID 134138572

IUPAC4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine
SMILESc1cc(-n2cnc(CN3CCCC3)c2)ncn1
InChIInChI=1S/C12H15N5/c1-2-6-16(5-1)7-11-8-17(10-15-11)12-3-4-13-9-14-12/h3-4,8-10H,1-2,5-7H2
InChIKeyUMXUHEKUCGGJIE-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.26
Rot. Bonds3

About 4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine

4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine (PubChem CID 134138572) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine
PubChem CID134138572
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine
SMILESc1cc(-n2cnc(CN3CCCC3)c2)ncn1
InChIInChI=1S/C12H15N5/c1-2-6-16(5-1)7-11-8-17(10-15-11)12-3-4-13-9-14-12/h3-4,8-10H,1-2,5-7H2
InChIKeyUMXUHEKUCGGJIE-UHFFFAOYSA-N
XLogP1.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
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-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine?
The IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine (CID 134138572) is 4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine.
What is the SMILES notation for 4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine?
The canonical SMILES for 4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine is c1cc(-n2cnc(CN3CCCC3)c2)ncn1.
What is the InChIKey of 4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine?
The InChIKey is UMXUHEKUCGGJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-6-16(5-1)7-11-8-17(10-15-11)12-3-4-13-9-14-12/h3-4,8-10H,1-2,5-7H2.
What are the key properties of 4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine?
4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine has a molecular weight of 229.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine is sourced from PubChem (CID 134138572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).