4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine

C16H15N5O — CID 19144376

IUPAC4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(NNc2ccccc2)ncnc1Oc1ccccc1
InChIInChI=1S/C16H15N5O/c17-14-15(21-20-12-7-3-1-4-8-12)18-11-19-16(14)22-13-9-5-2-6-10-13/h1-11,20H,17H2,(H,18,19,21)
InChIKeyMRYDPVVVFOLZJM-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.29
Rot. Bonds5

About 4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine

4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine (PubChem CID 19144376) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
PubChem CID19144376
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(NNc2ccccc2)ncnc1Oc1ccccc1
InChIInChI=1S/C16H15N5O/c17-14-15(21-20-12-7-3-1-4-8-12)18-11-19-16(14)22-13-9-5-2-6-10-13/h1-11,20H,17H2,(H,18,19,21)
InChIKeyMRYDPVVVFOLZJM-UHFFFAOYSA-N
XLogP3.29
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138730
4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 22543654
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide
CID 19152106
4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine
CID 19152582
4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 23477516
4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19149235
4-[(5-amino-6-phenoxypyrimidin-4-yl)amino]benzoic acid
CID 19152597
4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19136176
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334
4-N-(4-butoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143062

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
The IUPAC name of 4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine (CID 19144376) is 4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine.
What is the SMILES notation for 4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
The canonical SMILES for 4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine is Nc1c(NNc2ccccc2)ncnc1Oc1ccccc1.
What is the InChIKey of 4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
The InChIKey is MRYDPVVVFOLZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-14-15(21-20-12-7-3-1-4-8-12)18-11-19-16(14)22-13-9-5-2-6-10-13/h1-11,20H,17H2,(H,18,19,21).
What are the key properties of 4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine has a molecular weight of 293.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine is sourced from PubChem (CID 19144376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).