ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate

C18H20N4O4 — CID 92648692

IUPACethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C18H20N4O4/c1-2-26-18(25)22-10-8-21(9-11-22)17(24)14-12-19-15(20-16(14)23)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,19,20,23)
InChIKeyLMOSOBAKSRMWIY-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.35
Rot. Bonds3

About ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate

ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate (PubChem CID 92648692) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
PubChem CID92648692
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Nameethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C18H20N4O4/c1-2-26-18(25)22-10-8-21(9-11-22)17(24)14-12-19-15(20-16(14)23)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,19,20,23)
InChIKeyLMOSOBAKSRMWIY-UHFFFAOYSA-N
XLogP1.35
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-{[4-(3-methylbenzyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56882008
2-cyclopropyl-5-{[4-(2-methylbenzyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56906110
N-[(1S)-2-amino-1-methyl-2-oxoethyl]-4-hydroxy-2-phenylpyrimidine-5-carboxamide
CID 70711775
2-(4-methylphenyl)-5-(octahydro-2H-pyrido[1,2-a]pyrazin-2-ylcarbonyl)pyrimidin-4-ol
CID 70714396
N-(4-fluorobenzyl)-4-hydroxy-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 70731982
2-Cyclopropyl-5-{[4-(2-fluorobenzyl)piperazin-1-yl]carbonyl}pyrimidin-4-ol
CID 70759546
5-{[(3S)-3-aminopiperidin-1-yl]carbonyl}-2-(4-methylphenyl)pyrimidin-4-ol
CID 72869804
5-{[3-(2-Aminoethyl)piperidin-1-yl]carbonyl}-2-(4-methylphenyl)pyrimidin-4-ol
CID 72934224
methyl (NE)-N-[[2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]carbamate
CID 9660839
2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 1050152
N-benzyl-2-imino-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3151449
5-{[2-(Aminomethyl)piperidin-1-yl]carbonyl}-2-(4-methylphenyl)pyrimidin-4-ol
CID 72878311

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate (CID 92648692) is ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnc(-c3ccccc3)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The InChIKey is LMOSOBAKSRMWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-2-26-18(25)22-10-8-21(9-11-22)17(24)14-12-19-15(20-16(14)23)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,19,20,23).
What are the key properties of ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 92648692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).