3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea

C15H17BrN4O2 — CID 135433984

IUPAC3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C15H17BrN4O2/c1-3-20(4-2)15(22)19-14-17-12(11(16)13(21)18-14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,17,18,19,21,22)
InChIKeyMTUWPKCNYCVOMI-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.07
Rot. Bonds4

About 3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea

3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea (PubChem CID 135433984) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea
PubChem CID135433984
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C15H17BrN4O2/c1-3-20(4-2)15(22)19-14-17-12(11(16)13(21)18-14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,17,18,19,21,22)
InChIKeyMTUWPKCNYCVOMI-UHFFFAOYSA-N
XLogP3.07
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
CID 135465944
pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
CID 136609072
5-bromo-2-(1-ethylpyrazol-4-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136677135
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea
CID 110634646
5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136730198
N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide
CID 139230310
N,N-diethyl-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135996837
2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one
CID 136951885
5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one
CID 136704232
1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730273
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 17391649

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea?
The IUPAC name of 3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea (CID 135433984) is 3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea.
What is the SMILES notation for 3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea?
The canonical SMILES for 3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea is CCN(CC)C(=O)Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1.
What is the InChIKey of 3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea?
The InChIKey is MTUWPKCNYCVOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-3-20(4-2)15(22)19-14-17-12(11(16)13(21)18-14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,17,18,19,21,22).
What are the key properties of 3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea?
3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea has a molecular weight of 365.23 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1,1-diethylurea is sourced from PubChem (CID 135433984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).