2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine

C15H21N5 — CID 71691577

IUPAC2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine
SMILESCc1nccn1CCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H21N5/c1-13-16-8-12-19(13)9-3-14-4-10-20(11-5-14)15-17-6-2-7-18-15/h2,6-8,12,14H,3-5,9-11H2,1H3
InChIKeyAWDVIZDKJRSHBV-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.29
Rot. Bonds4

About 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine

2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine (PubChem CID 71691577) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine
PubChem CID71691577
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine
SMILESCc1nccn1CCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H21N5/c1-13-16-8-12-19(13)9-3-14-4-10-20(11-5-14)15-17-6-2-7-18-15/h2,6-8,12,14H,3-5,9-11H2,1H3
InChIKeyAWDVIZDKJRSHBV-UHFFFAOYSA-N
XLogP2.29
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.29
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
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
2-{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperazin-1-yl}-pyrimidine
CID 648855
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
2-[(4-Methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 3968007
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
8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane
CID 657506
N-(6-(4-(aminomethyl)piperidin-1-yl)pyrimidin-4-yl)pyrazin-2-amine
CID 42610049
2-[1-[6-(2-Methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]ethylphosphonic acid
CID 138468235

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine (CID 71691577) is 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine is Cc1nccn1CCC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The InChIKey is AWDVIZDKJRSHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-13-16-8-12-19(13)9-3-14-4-10-20(11-5-14)15-17-6-2-7-18-15/h2,6-8,12,14H,3-5,9-11H2,1H3.
What are the key properties of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine?
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 71691577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).