4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide

C18H15N3O4 — CID 87690845

IUPAC4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Oc2ccccc2)nc1OOCc1ccccc1
InChIInChI=1S/C18H15N3O4/c19-16(22)15-11-20-18(24-14-9-5-2-6-10-14)21-17(15)25-23-12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,19,22)
InChIKeyDELZXWDQXKVVDN-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.88
Rot. Bonds7

About 4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide

4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide (PubChem CID 87690845) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide
PubChem CID87690845
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Oc2ccccc2)nc1OOCc1ccccc1
InChIInChI=1S/C18H15N3O4/c19-16(22)15-11-20-18(24-14-9-5-2-6-10-14)21-17(15)25-23-12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,19,22)
InChIKeyDELZXWDQXKVVDN-UHFFFAOYSA-N
XLogP2.88
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-ethyl-4-phenoxypyrimidine-5-carboxylate
CID 174195714
4-methoxy-2-phenoxypyrimidin-5-amine
CID 153312423
4-methyl-6-phenylmethoxy-1,5-naphthyridine-3-carboxamide
CID 71152977
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118038351
5-amino-6-phenylmethoxypyridine-2-carboxamide
CID 114408377
2-N,2-N-dimethyl-4-phenylmethoxybenzene-1,2-dicarboxamide
CID 69299072
2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide
CID 16792148
6-methylsulfanyl-2-phenoxypyridine-3-carboxamide
CID 142991898
[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate
CID 59252378
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
CID 68761090

Frequently Asked Questions

What is the IUPAC name of 4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide?
The IUPAC name of 4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide (CID 87690845) is 4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide.
What is the SMILES notation for 4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide?
The canonical SMILES for 4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide is NC(=O)c1cnc(Oc2ccccc2)nc1OOCc1ccccc1.
What is the InChIKey of 4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide?
The InChIKey is DELZXWDQXKVVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c19-16(22)15-11-20-18(24-14-9-5-2-6-10-14)21-17(15)25-23-12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,19,22).
What are the key properties of 4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide?
4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylperoxy-2-phenoxypyrimidine-5-carboxamide is sourced from PubChem (CID 87690845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).