ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate

C20H25N5O3 — CID 109352809

IUPACethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(=O)Nc3cc(C)ccc3C)ncn2)CC1
InChIInChI=1S/C20H25N5O3/c1-4-28-20(27)25-9-7-24(8-10-25)18-12-17(21-13-22-18)19(26)23-16-11-14(2)5-6-15(16)3/h5-6,11-13H,4,7-10H2,1-3H3,(H,23,26)
InChIKeyJNYOLCWXHSOGGE-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.62
Rot. Bonds4

About ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate

ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 109352809) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID109352809
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Nameethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(=O)Nc3cc(C)ccc3C)ncn2)CC1
InChIInChI=1S/C20H25N5O3/c1-4-28-20(27)25-9-7-24(8-10-25)18-12-17(21-13-22-18)19(26)23-16-11-14(2)5-6-15(16)3/h5-6,11-13H,4,7-10H2,1-3H3,(H,23,26)
InChIKeyJNYOLCWXHSOGGE-UHFFFAOYSA-N
XLogP2.62
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345915
ethyl 4-[6-[(2-chlorophenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352823
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352825
ethyl 4-[6-(pentylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352795
ethyl 4-[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109350551
ethyl 4-[[6-[(2,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194100
ethyl 4-[2-(2,5-dimethylanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108531030
ethyl 4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109345115
6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109345656
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345919
ethyl 4-[6-(azepan-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352856
N-(2,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367223

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate (CID 109352809) is ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(C(=O)Nc3cc(C)ccc3C)ncn2)CC1.
What is the InChIKey of ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is JNYOLCWXHSOGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-4-28-20(27)25-9-7-24(8-10-25)18-12-17(21-13-22-18)19(26)23-16-11-14(2)5-6-15(16)3/h5-6,11-13H,4,7-10H2,1-3H3,(H,23,26).
What are the key properties of ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate?
ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 109352809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).