4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine

C13H17N5O — CID 80930333

IUPAC4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine
SMILESNNc1cc(OCCCc2ccccc2)nc(N)n1
InChIInChI=1S/C13H17N5O/c14-13-16-11(18-15)9-12(17-13)19-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,15H2,(H3,14,16,17,18)
InChIKeyOYPXBGJHYNTMSX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.36
Rot. Bonds6

About 4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine

4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine (PubChem CID 80930333) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine
PubChem CID80930333
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine
SMILESNNc1cc(OCCCc2ccccc2)nc(N)n1
InChIInChI=1S/C13H17N5O/c14-13-16-11(18-15)9-12(17-13)19-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,15H2,(H3,14,16,17,18)
InChIKeyOYPXBGJHYNTMSX-UHFFFAOYSA-N
XLogP1.36
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.36
H-Bond Donors ≤ 53
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

[6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine
CID 80931328
4-heptoxy-6-hydrazinylpyrimidin-2-amine
CID 80909546
4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
CID 80911860
4,5-dimethoxy-2-(3-phenylpropoxy)aniline
CID 83005249
4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine
CID 80916183
[2-ethyl-6-(2-phenoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80939342
[6-(2-ethoxyethoxy)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916297
6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
CID 80791770
4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine
CID 80909311
4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine
CID 139976102
3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine
CID 102760880
[2-phenyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
CID 115916312

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine?
The IUPAC name of 4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine (CID 80930333) is 4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine is NNc1cc(OCCCc2ccccc2)nc(N)n1.
What is the InChIKey of 4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine?
The InChIKey is OYPXBGJHYNTMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-13-16-11(18-15)9-12(17-13)19-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,15H2,(H3,14,16,17,18).
What are the key properties of 4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine?
4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine is sourced from PubChem (CID 80930333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).