4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine

C13H17N5 — CID 53015214

IUPAC4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C13H17N5/c1-11-2-5-17(6-3-11)12-8-13(16-9-15-12)18-7-4-14-10-18/h4,7-11H,2-3,5-6H2,1H3
InChIKeyIAKKGOJKJFAKHP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.90
Rot. Bonds2

About 4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine

4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine (PubChem CID 53015214) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine
PubChem CID53015214
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C13H17N5/c1-11-2-5-17(6-3-11)12-8-13(16-9-15-12)18-7-4-14-10-18/h4,7-11H,2-3,5-6H2,1H3
InChIKeyIAKKGOJKJFAKHP-UHFFFAOYSA-N
XLogP1.90
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.90
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-(4-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine (CID 53015214) is 4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine is CC1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of 4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine?
The InChIKey is IAKKGOJKJFAKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-11-2-5-17(6-3-11)12-8-13(16-9-15-12)18-7-4-14-10-18/h4,7-11H,2-3,5-6H2,1H3.
What are the key properties of 4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine?
4-imidazol-1-yl-6-(4-methylpiperidin-1-yl)pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.90, 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-(4-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 53015214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).