4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

C20H28N6 — CID 112923898

IUPAC4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCCC(C)C2)nc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C20H28N6/c1-16-6-5-9-26(15-16)19-14-17(2)22-20(23-19)25-12-10-24(11-13-25)18-7-3-4-8-21-18/h3-4,7-8,14,16H,5-6,9-13,15H2,1-2H3
InChIKeyQKLFAZXYVCKLJS-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.74
Rot. Bonds3

About 4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 112923898) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID112923898
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCCC(C)C2)nc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C20H28N6/c1-16-6-5-9-26(15-16)19-14-17(2)22-20(23-19)25-12-10-24(11-13-25)18-7-3-4-8-21-18/h3-4,7-8,14,16H,5-6,9-13,15H2,1-2H3
InChIKeyQKLFAZXYVCKLJS-UHFFFAOYSA-N
XLogP2.74
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491
4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 112910746
2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 112875578
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 112910918
8-[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112922838
ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112923357
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112923882
[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109216212
N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923831
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (CID 112923898) is 4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is Cc1cc(N2CCCC(C)C2)nc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of 4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is QKLFAZXYVCKLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-16-6-5-9-26(15-16)19-14-17(2)22-20(23-19)25-12-10-24(11-13-25)18-7-3-4-8-21-18/h3-4,7-8,14,16H,5-6,9-13,15H2,1-2H3.
What are the key properties of 4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 352.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 112923898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).