6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine

C11H17N7O — CID 106412418

IUPAC6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NCc2ncon2)n1
InChIInChI=1S/C11H17N7O/c1-3-4-8-15-10(7(2)11(16-8)17-12)13-5-9-14-6-19-18-9/h6H,3-5,12H2,1-2H3,(H2,13,15,16,17)
InChIKeyHPFWHZVQZMMOER-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.02
Rot. Bonds6

About 6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine

6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine (PubChem CID 106412418) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine
PubChem CID106412418
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NCc2ncon2)n1
InChIInChI=1S/C11H17N7O/c1-3-4-8-15-10(7(2)11(16-8)17-12)13-5-9-14-6-19-18-9/h6H,3-5,12H2,1-2H3,(H2,13,15,16,17)
InChIKeyHPFWHZVQZMMOER-UHFFFAOYSA-N
XLogP1.02
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.02
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

2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411944
6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 106411949
6-hydrazinyl-5-methyl-N-(1,2-oxazol-5-ylmethyl)-2-propylpyrimidin-4-amine
CID 106424779
6-hydrazinyl-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874497
6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 81007066
6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 81001135
6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 81173364
1-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 81006767
N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine
CID 81000696
6-hydrazinyl-5-methyl-N-(2-methylbutyl)-2-propylpyrimidin-4-amine
CID 81006405
6-hydrazinyl-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propylpyrimidin-4-amine
CID 113451063
3,5-dichloro-2-N-ethyl-6-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,6-diamine
CID 114185511

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine (CID 106412418) is 6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine is CCCc1nc(NN)c(C)c(NCc2ncon2)n1.
What is the InChIKey of 6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine?
The InChIKey is HPFWHZVQZMMOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-3-4-8-15-10(7(2)11(16-8)17-12)13-5-9-14-6-19-18-9/h6H,3-5,12H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine?
6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine has a molecular weight of 263.30 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 106412418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).