6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine

C15H21N5O — CID 80902452

IUPAC6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1NCCOc1ccccc1
InChIInChI=1S/C15H21N5O/c1-11(2)13-14(18-10-19-15(13)20-16)17-8-9-21-12-6-4-3-5-7-12/h3-7,10-11H,8-9,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyAFXBGUNNXBKCFW-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.38
Rot. Bonds7

About 6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80902452) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80902452
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1NCCOc1ccccc1
InChIInChI=1S/C15H21N5O/c1-11(2)13-14(18-10-19-15(13)20-16)17-8-9-21-12-6-4-3-5-7-12/h3-7,10-11H,8-9,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyAFXBGUNNXBKCFW-UHFFFAOYSA-N
XLogP2.38
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.38
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-hydrazinyl-2,5-dimethyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80900531
5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138739
6-N,5-diethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80791055
6-hydrazinyl-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102701988
6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80901369
3,5-dichloro-6-hydrazinyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 102761875
5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine
CID 80826774
5-methyl-4-N-(2-phenoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983631
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370
[6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923447
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903053

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine (CID 80902452) is 6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(NN)ncnc1NCCOc1ccccc1.
What is the InChIKey of 6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is AFXBGUNNXBKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(2)13-14(18-10-19-15(13)20-16)17-8-9-21-12-6-4-3-5-7-12/h3-7,10-11H,8-9,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 2.38, 7 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)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80902452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).