4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine

C19H21N5O — CID 19138730

IUPAC4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
SMILESCC(C)c1ccc(Oc2ncnc(NNc3ccccc3)c2N)cc1
InChIInChI=1S/C19H21N5O/c1-13(2)14-8-10-16(11-9-14)25-19-17(20)18(21-12-22-19)24-23-15-6-4-3-5-7-15/h3-13,23H,20H2,1-2H3,(H,21,22,24)
InChIKeyZUIYCCXLLIPONL-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.41
Rot. Bonds6

About 4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine

4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine (PubChem CID 19138730) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
PubChem CID19138730
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
SMILESCC(C)c1ccc(Oc2ncnc(NNc3ccccc3)c2N)cc1
InChIInChI=1S/C19H21N5O/c1-13(2)14-8-10-16(11-9-14)25-19-17(20)18(21-12-22-19)24-23-15-6-4-3-5-7-15/h3-13,23H,20H2,1-2H3,(H,21,22,24)
InChIKeyZUIYCCXLLIPONL-UHFFFAOYSA-N
XLogP4.41
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.41
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-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144376
4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 22543654
4-N-(3,5-dimethylphenyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine
CID 22540925
4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134746
6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 19138835
4-N-(2-chloro-3-pyridinyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine
CID 19138859
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19138799
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334
4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 23477516
4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19149235

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine (CID 19138730) is 4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine is CC(C)c1ccc(Oc2ncnc(NNc3ccccc3)c2N)cc1.
What is the InChIKey of 4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The InChIKey is ZUIYCCXLLIPONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(2)14-8-10-16(11-9-14)25-19-17(20)18(21-12-22-19)24-23-15-6-4-3-5-7-15/h3-13,23H,20H2,1-2H3,(H,21,22,24).
What are the key properties of 4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine has a molecular weight of 335.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19138730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).