[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone

C20H26N6O — CID 109363662

IUPAC[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCCC2)cc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C20H26N6O/c1-16-22-17(20(27)26-9-5-2-6-10-26)15-19(23-16)25-13-11-24(12-14-25)18-7-3-4-8-21-18/h3-4,7-8,15H,2,5-6,9-14H2,1H3
InChIKeyJNBSLWPGFYFGBC-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.13
Rot. Bonds3

About [2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone

[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109363662) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is [2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109363662
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCCC2)cc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C20H26N6O/c1-16-22-17(20(27)26-9-5-2-6-10-26)15-19(23-16)25-13-11-24(12-14-25)18-7-3-4-8-21-18/h3-4,7-8,15H,2,5-6,9-14H2,1H3
InChIKeyJNBSLWPGFYFGBC-UHFFFAOYSA-N
XLogP2.13
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365554
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109364142
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
1-[4-[6-(azepane-1-carbonyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109367746
[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146078192
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
[6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362934
[6-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363660
piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109298462
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 75538862
ethyl 4-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109363656
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 122340982

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109363662) is [2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1nc(C(=O)N2CCCCC2)cc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of [2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is JNBSLWPGFYFGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-16-22-17(20(27)26-9-5-2-6-10-26)15-19(23-16)25-13-11-24(12-14-25)18-7-3-4-8-21-18/h3-4,7-8,15H,2,5-6,9-14H2,1H3.
What are the key properties of [2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 366.47 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109363662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).