[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C19H25N5O — CID 109302364

IUPAC[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C19H25N5O/c1-4-24(16-7-5-6-15(2)14-16)19-20-9-8-17(21-19)18(25)23-12-10-22(3)11-13-23/h5-9,14H,4,10-13H2,1-3H3
InChIKeyYOJZCVJZPMDXRC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.33
Rot. Bonds4

About [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109302364) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109302364
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C19H25N5O/c1-4-24(16-7-5-6-15(2)14-16)19-20-9-8-17(21-19)18(25)23-12-10-22(3)11-13-23/h5-9,14H,4,10-13H2,1-3H3
InChIKeyYOJZCVJZPMDXRC-UHFFFAOYSA-N
XLogP2.33
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299311
2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
CID 109314535
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208548
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204542
[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325932
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
[2-(N-benzylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302332
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302213
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312422

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 109302364) is [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CCN(c1cccc(C)c1)c1nccc(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YOJZCVJZPMDXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-24(16-7-5-6-15(2)14-16)19-20-9-8-17(21-19)18(25)23-12-10-22(3)11-13-23/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109302364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).