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

C15H20N4O4 — CID 74242915

IUPACethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1
InChIInChI=1S/C15H20N4O4/c1-2-23-15(22)19-7-5-18(6-8-19)14(21)11-9-16-12(10-3-4-10)17-13(11)20/h9-10H,2-8H2,1H3,(H,16,17,20)
InChIKeyYKDSKVSAGUTQKS-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.56
Rot. Bonds3

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

ethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate (PubChem CID 74242915) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
PubChem CID74242915
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Nameethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1
InChIInChI=1S/C15H20N4O4/c1-2-23-15(22)19-7-5-18(6-8-19)14(21)11-9-16-12(10-3-4-10)17-13(11)20/h9-10H,2-8H2,1H3,(H,16,17,20)
InChIKeyYKDSKVSAGUTQKS-UHFFFAOYSA-N
XLogP0.56
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
2-cyclopropyl-N-ethyl-N-(2-morpholin-4-ylethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241645
2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82510676
2-isopropyl-5-{[4-(2-methoxyethyl)piperazin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 91839408
2-cyclopropyl-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97872291
2-cyclopropyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97872292
2-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 110849864
5-(4-ethylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110850037
5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110850431
ethyl 4-[(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 110853948
ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 110854101
ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 110854102

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate (CID 74242915) is ethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The InChIKey is YKDSKVSAGUTQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-2-23-15(22)19-7-5-18(6-8-19)14(21)11-9-16-12(10-3-4-10)17-13(11)20/h9-10H,2-8H2,1H3,(H,16,17,20).
What are the key properties of ethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
ethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 74242915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).