2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine

C15H21N5 — CID 95816201

IUPAC2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
SMILESCc1nccc([C@H]2CCCN(Cc3nccn3C)C2)n1
InChIInChI=1S/C15H21N5/c1-12-16-6-5-14(18-12)13-4-3-8-20(10-13)11-15-17-7-9-19(15)2/h5-7,9,13H,3-4,8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyAVNBHEZQGHTFQM-ZDUSSCGKSA-N
MW271.37 g/mol
LogP1.90
Rot. Bonds3

About 2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine

2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine (PubChem CID 95816201) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
PubChem CID95816201
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
SMILESCc1nccc([C@H]2CCCN(Cc3nccn3C)C2)n1
InChIInChI=1S/C15H21N5/c1-12-16-6-5-14(18-12)13-4-3-8-20(10-13)11-15-17-7-9-19(15)2/h5-7,9,13H,3-4,8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyAVNBHEZQGHTFQM-ZDUSSCGKSA-N
XLogP1.90
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
CID 110257106
N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 110257105
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124949798
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
CID 110115044
N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 124997573
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261
4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 132765437
2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 124575843
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine
CID 110114973
5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole
CID 146138398

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine (CID 95816201) is 2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine is Cc1nccc([C@H]2CCCN(Cc3nccn3C)C2)n1.
What is the InChIKey of 2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine?
The InChIKey is AVNBHEZQGHTFQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-16-6-5-14(18-12)13-4-3-8-20(10-13)11-15-17-7-9-19(15)2/h5-7,9,13H,3-4,8,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine?
2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine is sourced from PubChem (CID 95816201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).