6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine

C11H17N7O — CID 106412478

IUPAC6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCCc1ncno1
InChIInChI=1S/C11H17N7O/c1-2-3-8-10(15-6-16-11(8)18-12)13-5-4-9-14-7-17-19-9/h6-7H,2-5,12H2,1H3,(H2,13,15,16,18)
InChIKeyMTLHHJAVXZEWSF-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.75
Rot. Bonds7

About 6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine

6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine (PubChem CID 106412478) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine
PubChem CID106412478
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCCc1ncno1
InChIInChI=1S/C11H17N7O/c1-2-3-8-10(15-6-16-11(8)18-12)13-5-4-9-14-7-17-19-9/h6-7H,2-5,12H2,1H3,(H2,13,15,16,18)
InChIKeyMTLHHJAVXZEWSF-UHFFFAOYSA-N
XLogP0.75
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106412113
5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106411995
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80906224
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80911399
6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80908147
2-hydrazinyl-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106412476
5-ethyl-6-hydrazinyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106424754
6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine
CID 106405598
6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424383
6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80910998
5-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106412100

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine (CID 106412478) is 6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1NCCc1ncno1.
What is the InChIKey of 6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine?
The InChIKey is MTLHHJAVXZEWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-2-3-8-10(15-6-16-11(8)18-12)13-5-4-9-14-7-17-19-9/h6-7H,2-5,12H2,1H3,(H2,13,15,16,18).
What are the key properties of 6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine?
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine has a molecular weight of 263.30 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 106412478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).