[5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C21H22N6O — CID 109194521

IUPAC[5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C21H22N6O/c1-16-5-2-3-6-18(16)25-17-7-8-19(24-15-17)20(28)26-11-13-27(14-12-26)21-22-9-4-10-23-21/h2-10,15,25H,11-14H2,1H3
InChIKeyQBCPZHCFDYMJCD-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.89
Rot. Bonds4

About [5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109194521) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109194521
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C21H22N6O/c1-16-5-2-3-6-18(16)25-17-7-8-19(24-15-17)20(28)26-11-13-27(14-12-26)21-22-9-4-10-23-21/h2-10,15,25H,11-14H2,1H3
InChIKeyQBCPZHCFDYMJCD-UHFFFAOYSA-N
XLogP2.89
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194531
[5-(3-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194522
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109332196
[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109188753
[5-(3-fluoroanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194543
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194157
ethyl 4-[5-(2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194154
azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
CID 109196768

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109194521) is [5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccccc1Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of [5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is QBCPZHCFDYMJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-16-5-2-3-6-18(16)25-17-7-8-19(24-15-17)20(28)26-11-13-27(14-12-26)21-22-9-4-10-23-21/h2-10,15,25H,11-14H2,1H3.
What are the key properties of [5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 374.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109194521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).