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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Related Compounds

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 72709675
4-Imidazol-1-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10824197
4-(2-Methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 54584343
4-Imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130230
4-Imidazol-1-yl-6-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10657936
2-(2-Methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 54581398
N-(6-(4-(aminomethyl)piperidin-1-yl)pyrimidin-4-yl)pyrazin-2-amine
CID 42610049
2-[4-[6-(2-Methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid
CID 138468233
2-[1-[6-(2-Methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]ethylphosphonic acid
CID 138468235
Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-piperidinyl)-, monohydrochloride
CID 3071751
Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-pyrrolidinyl)-, monohydrochloride
CID 3071755

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).