2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine

C15H21N5 — CID 125022368

IUPAC2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
SMILESCc1ncc(CN2CCC[C@@H](c3ncc(C)[nH]3)C2)cn1
InChIInChI=1S/C15H21N5/c1-11-6-18-15(19-11)14-4-3-5-20(10-14)9-13-7-16-12(2)17-8-13/h6-8,14H,3-5,9-10H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyYQDWZIKPSZRBOA-CQSZACIVSA-N
MW271.37 g/mol
LogP2.20
Rot. Bonds3

About 2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine

2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 125022368) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
PubChem CID125022368
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
SMILESCc1ncc(CN2CCC[C@@H](c3ncc(C)[nH]3)C2)cn1
InChIInChI=1S/C15H21N5/c1-11-6-18-15(19-11)14-4-3-5-20(10-14)9-13-7-16-12(2)17-8-13/h6-8,14H,3-5,9-10H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyYQDWZIKPSZRBOA-CQSZACIVSA-N
XLogP2.20
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine (CID 125022368) is 2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine is Cc1ncc(CN2CCC[C@@H](c3ncc(C)[nH]3)C2)cn1.
What is the InChIKey of 2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is YQDWZIKPSZRBOA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-6-18-15(19-11)14-4-3-5-20(10-14)9-13-7-16-12(2)17-8-13/h6-8,14H,3-5,9-10H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine?
2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 125022368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).