6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

C11H17N7O — CID 114250773

IUPAC6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCOc1c(NN)ncnc1Nc1ccn(C(C)C)n1
InChIInChI=1S/C11H17N7O/c1-7(2)18-5-4-8(17-18)15-10-9(19-3)11(16-12)14-6-13-10/h4-7H,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyLUWQVQOUCGOBMH-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.29
Rot. Bonds5

About 6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114250773) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114250773
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCOc1c(NN)ncnc1Nc1ccn(C(C)C)n1
InChIInChI=1S/C11H17N7O/c1-7(2)18-5-4-8(17-18)15-10-9(19-3)11(16-12)14-6-13-10/h4-7H,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyLUWQVQOUCGOBMH-UHFFFAOYSA-N
XLogP1.29
TPSA102.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.29
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

5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250770
6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251632
6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine
CID 114251639
6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251640
5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine
CID 114251516
5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 114250731
4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine
CID 130496011
6-hydrazinyl-5-methoxy-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767453
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 114250772
6-hydrazinyl-5-methoxy-N-(3-methylcyclopentyl)pyrimidin-4-amine
CID 114542288
N,1-di(propan-2-yl)pyrazol-3-amine;ethane
CID 169238022
1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379769

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (CID 114250773) is 6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is COc1c(NN)ncnc1Nc1ccn(C(C)C)n1.
What is the InChIKey of 6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is LUWQVQOUCGOBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-7(2)18-5-4-8(17-18)15-10-9(19-3)11(16-12)14-6-13-10/h4-7H,12H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 263.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114250773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).