[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H28N6O — CID 109364142

IUPAC[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccccn3)CC2)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C21H28N6O/c1-16-6-9-25(10-7-16)20-15-18(23-17(2)24-20)21(28)27-13-11-26(12-14-27)19-5-3-4-8-22-19/h3-5,8,15-16H,6-7,9-14H2,1-2H3
InChIKeyGRXLVUYUQVZDFV-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.38
Rot. Bonds3

About [2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109364142) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is [2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109364142
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccccn3)CC2)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C21H28N6O/c1-16-6-9-25(10-7-16)20-15-18(23-17(2)24-20)21(28)27-13-11-26(12-14-27)19-5-3-4-8-22-19/h3-5,8,15-16H,6-7,9-14H2,1-2H3
InChIKeyGRXLVUYUQVZDFV-UHFFFAOYSA-N
XLogP2.38
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363662
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364088
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365554
1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109364260
(4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109362694
[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146078192
(4-methylpiperidin-1-yl)-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109275060
(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109113370
[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364291
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 122340982
(4-methylpiperazin-1-yl)-[2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109367054
[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109216212

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109364142) is [2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)cc(N2CCC(C)CC2)n1.
What is the InChIKey of [2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GRXLVUYUQVZDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-16-6-9-25(10-7-16)20-15-18(23-17(2)24-20)21(28)27-13-11-26(12-14-27)19-5-3-4-8-22-19/h3-5,8,15-16H,6-7,9-14H2,1-2H3.
What are the key properties of [2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 380.50 g/mol, XLogP of 2.38, 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-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109364142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).