ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate

C19H23N5O4 — CID 109261901

IUPACethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(Nc3ccccc3OC)nc2)CC1
InChIInChI=1S/C19H23N5O4/c1-3-28-19(26)24-10-8-23(9-11-24)17(25)14-12-20-18(21-13-14)22-15-6-4-5-7-16(15)27-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,21,22)
InChIKeyILSATNVIFTYWJH-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.14
Rot. Bonds5

About ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate

ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate (PubChem CID 109261901) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate
PubChem CID109261901
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Nameethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(Nc3ccccc3OC)nc2)CC1
InChIInChI=1S/C19H23N5O4/c1-3-28-19(26)24-10-8-23(9-11-24)17(25)14-12-20-18(21-13-14)22-15-6-4-5-7-16(15)27-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,21,22)
InChIKeyILSATNVIFTYWJH-UHFFFAOYSA-N
XLogP2.14
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253755
ethyl 4-[5-(2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194154
ethyl 4-[6-(2-methoxyanilino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109373094
ethyl 4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 109255699
ethyl 4-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 26680944
ethyl 4-[2-(4-propan-2-ylanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 109261894
[2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253729
[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254104
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
4-[2-(2-propan-2-yloxyanilino)pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254405
ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194157
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264362

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate (CID 109261901) is ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnc(Nc3ccccc3OC)nc2)CC1.
What is the InChIKey of ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate?
The InChIKey is ILSATNVIFTYWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-3-28-19(26)24-10-8-23(9-11-24)17(25)14-12-20-18(21-13-14)22-15-6-4-5-7-16(15)27-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109261901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).