4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

C20H24N6 — CID 72872204

IUPAC4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCCC(c3nccn3Cc3ccccn3)C2)c1C
InChIInChI=1S/C20H24N6/c1-15-16(2)23-14-24-19(15)25-10-5-6-17(12-25)20-22-9-11-26(20)13-18-7-3-4-8-21-18/h3-4,7-9,11,14,17H,5-6,10,12-13H2,1-2H3
InChIKeyKAPCBNAQKQATHN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.12
Rot. Bonds4

About 4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 72872204) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
PubChem CID72872204
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCCC(c3nccn3Cc3ccccn3)C2)c1C
InChIInChI=1S/C20H24N6/c1-15-16(2)23-14-24-19(15)25-10-5-6-17(12-25)20-22-9-11-26(20)13-18-7-3-4-8-21-18/h3-4,7-9,11,14,17H,5-6,10,12-13H2,1-2H3
InChIKeyKAPCBNAQKQATHN-UHFFFAOYSA-N
XLogP3.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97130207
5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97141189
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97200300
4-methyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
CID 72858908
2-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97202197
2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72906714
4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97207632
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
CID 96571031
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 97195658
2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97123365
N-[2-methyl-1-oxo-1-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide
CID 72871557

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (CID 72872204) is 4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is Cc1ncnc(N2CCCC(c3nccn3Cc3ccccn3)C2)c1C.
What is the InChIKey of 4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is KAPCBNAQKQATHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-16(2)23-14-24-19(15)25-10-5-6-17(12-25)20-22-9-11-26(20)13-18-7-3-4-8-21-18/h3-4,7-9,11,14,17H,5-6,10,12-13H2,1-2H3.
What are the key properties of 4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72872204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).