6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine

C12H15N5O — CID 80901369

IUPAC6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine
SMILESNNc1cc(NCCOc2ccccc2)ncn1
InChIInChI=1S/C12H15N5O/c13-17-12-8-11(15-9-16-12)14-6-7-18-10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2,(H2,14,15,16,17)
InChIKeySPCHVDLQJJBMHX-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.25
Rot. Bonds6

About 6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine

6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine (PubChem CID 80901369) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine
PubChem CID80901369
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine
SMILESNNc1cc(NCCOc2ccccc2)ncn1
InChIInChI=1S/C12H15N5O/c13-17-12-8-11(15-9-16-12)14-6-7-18-10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2,(H2,14,15,16,17)
InChIKeySPCHVDLQJJBMHX-UHFFFAOYSA-N
XLogP1.25
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.25
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-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980
6-hydrazinyl-N-(3-phenoxypropyl)pyrazin-2-amine
CID 80918884
N-(3-ethoxypropyl)-6-hydrazinylpyrimidin-4-amine
CID 80944066
N-[2-(4-aminophenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 61227109
6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine
CID 80902452
N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80932869
3,5-dichloro-6-hydrazinyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 102761875
2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855321
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860749

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine (CID 80901369) is 6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine is NNc1cc(NCCOc2ccccc2)ncn1.
What is the InChIKey of 6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine?
The InChIKey is SPCHVDLQJJBMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-17-12-8-11(15-9-16-12)14-6-7-18-10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine?
6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine has a molecular weight of 245.29 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 80901369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).