6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine

C13H21N5O — CID 80947083

IUPAC6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NC2CC3CCC2O3)n1
InChIInChI=1S/C13H21N5O/c1-2-3-11-16-12(7-13(17-11)18-14)15-9-6-8-4-5-10(9)19-8/h7-10H,2-6,14H2,1H3,(H2,15,16,17,18)
InChIKeyILPORTIOTPKGLW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.45
Rot. Bonds5

About 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine

6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine (PubChem CID 80947083) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine
PubChem CID80947083
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NC2CC3CCC2O3)n1
InChIInChI=1S/C13H21N5O/c1-2-3-11-16-12(7-13(17-11)18-14)15-9-6-8-4-5-10(9)19-8/h7-10H,2-6,14H2,1H3,(H2,15,16,17,18)
InChIKeyILPORTIOTPKGLW-UHFFFAOYSA-N
XLogP1.45
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80956653
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946562
4-N,6-N-bis[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyrimidine-4,6-diamine
CID 129429968
N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947878
3,5-dichloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine
CID 102762310
6-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 80720746
6-hydrazinyl-N-(1-methylpiperidin-3-yl)-2-propylpyrimidin-4-amine
CID 80947154
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
6-N-ethyl-4-N-(2-ethylcyclopropyl)-2-propylpyrimidine-4,6-diamine
CID 114110083
4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 82736136
[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368406
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine
CID 80942828

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine (CID 80947083) is 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(NC2CC3CCC2O3)n1.
What is the InChIKey of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine?
The InChIKey is ILPORTIOTPKGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-3-11-16-12(7-13(17-11)18-14)15-9-6-8-4-5-10(9)19-8/h7-10H,2-6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine?
6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80947083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).