[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H22N6O — CID 109310584

IUPAC[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN(c1ccccc1)c1nccc(C(=O)N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C21H22N6O/c1-25(17-7-3-2-4-8-17)21-23-12-10-18(24-21)20(28)27-15-13-26(14-16-27)19-9-5-6-11-22-19/h2-12H,13-16H2,1H3
InChIKeyUHMSXSNPIQVHQT-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.60
Rot. Bonds4

About [2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109310584) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109310584
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN(c1ccccc1)c1nccc(C(=O)N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C21H22N6O/c1-25(17-7-3-2-4-8-17)21-23-12-10-18(24-21)20(28)27-15-13-26(14-16-27)19-9-5-6-11-22-19/h2-12H,13-16H2,1H3
InChIKeyUHMSXSNPIQVHQT-UHFFFAOYSA-N
XLogP2.60
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[2-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109313290
4-[2-(N-methylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302890
[2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300595
[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238602
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280
[4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109211032
piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109298462
[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109301731
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854940
N-[2-(dimethylamino)ethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096318

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109310584) is [2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CN(c1ccccc1)c1nccc(C(=O)N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of [2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UHMSXSNPIQVHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-25(17-7-3-2-4-8-17)21-23-12-10-18(24-21)20(28)27-15-13-26(14-16-27)19-9-5-6-11-22-19/h2-12H,13-16H2,1H3.
What are the key properties of [2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 374.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109310584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).