1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

C19H23N5O2 — CID 109303170

IUPAC1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnc(Nc3ccc(C)cc3C)n2)CC1
InChIInChI=1S/C19H23N5O2/c1-13-4-5-16(14(2)12-13)21-19-20-7-6-17(22-19)18(26)24-10-8-23(9-11-24)15(3)25/h4-7,12H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyAJFKGTKCDVRBEM-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.14
Rot. Bonds3

About 1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109303170) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109303170
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnc(Nc3ccc(C)cc3C)n2)CC1
InChIInChI=1S/C19H23N5O2/c1-13-4-5-16(14(2)12-13)21-19-20-7-6-17(22-19)18(26)24-10-8-23(9-11-24)15(3)25/h4-7,12H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyAJFKGTKCDVRBEM-UHFFFAOYSA-N
XLogP2.14
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloro-2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302294
[2-(2-bromo-4-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297812
[2-(2,5-dimethylanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302591
[2-(2,5-dimethylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310669
4-[2-[4-(diethylamino)-2-methylanilino]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302967
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,5-dimethylanilino)pyrimidin-4-yl]methanone
CID 109308122
[2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300688
2-(2,4-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314728
2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313507
ethyl 4-[2-(2,4-dimethylanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897903
1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone
CID 47255982
(4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone
CID 109302586

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (CID 109303170) is 1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccnc(Nc3ccc(C)cc3C)n2)CC1.
What is the InChIKey of 1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is AJFKGTKCDVRBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-4-5-16(14(2)12-13)21-19-20-7-6-17(22-19)18(26)24-10-8-23(9-11-24)15(3)25/h4-7,12H,8-11H2,1-3H3,(H,20,21,22).
What are the key properties of 1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 353.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109303170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).