[5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine

C12H13BrN4O2 — CID 80908991

IUPAC[5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(OCCOc2ccccc2)n1
InChIInChI=1S/C12H13BrN4O2/c13-10-8-15-12(17-14)16-11(10)19-7-6-18-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H,15,16,17)
InChIKeyKVGKPTCPOCGJLY-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.98
Rot. Bonds6

About [5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine

[5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80908991) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is [5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine
PubChem CID80908991
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name[5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(OCCOc2ccccc2)n1
InChIInChI=1S/C12H13BrN4O2/c13-10-8-15-12(17-14)16-11(10)19-7-6-18-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H,15,16,17)
InChIKeyKVGKPTCPOCGJLY-UHFFFAOYSA-N
XLogP1.98
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80916147
(5-bromo-4-pentoxypyrimidin-2-yl)hydrazine
CID 80911741
[5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine
CID 82793945
[5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 103176581
[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine
CID 80914039
3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine
CID 105368231
[4-(2-bromophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80913487
5-bromo-4-(2-methoxyethoxy)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 123478073
[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 107727403
5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine
CID 114264170
N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106998107
5-bromo-4-N-phenyl-2-N-[4-[3-(propan-2-ylamino)propoxy]phenyl]pyrimidine-2,4-diamine
CID 18186497

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine (CID 80908991) is [5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine is NNc1ncc(Br)c(OCCOc2ccccc2)n1.
What is the InChIKey of [5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is KVGKPTCPOCGJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c13-10-8-15-12(17-14)16-11(10)19-7-6-18-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H,15,16,17).
What are the key properties of [5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 325.17 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80908991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).