4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine

C11H20N6O — CID 83039065

IUPAC4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCC1(C)CC(Nc2cc(NN)nc(N)n2)CCO1
InChIInChI=1S/C11H20N6O/c1-11(2)6-7(3-4-18-11)14-8-5-9(17-13)16-10(12)15-8/h5,7H,3-4,6,13H2,1-2H3,(H4,12,14,15,16,17)
InChIKeyDUIXGQLGKSFGID-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.71
Rot. Bonds3

About 4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine

4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 83039065) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID83039065
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCC1(C)CC(Nc2cc(NN)nc(N)n2)CCO1
InChIInChI=1S/C11H20N6O/c1-11(2)6-7(3-4-18-11)14-8-5-9(17-13)16-10(12)15-8/h5,7H,3-4,6,13H2,1-2H3,(H4,12,14,15,16,17)
InChIKeyDUIXGQLGKSFGID-UHFFFAOYSA-N
XLogP0.71
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
CID 83040106
4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114542352
6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
CID 83040213
4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 83040002
6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719095
2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
CID 83028574
4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
CID 80932783
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide
CID 114767900
3-N-(2,2-dimethyloxan-4-yl)benzene-1,3-diamine
CID 83027347
4-chloro-1-N-(2,2-dimethyloxan-4-yl)benzene-1,2-diamine
CID 83027979
N-(2,2-dimethyloxan-4-yl)quinolin-2-amine
CID 115563852

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine (CID 83039065) is 4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine is CC1(C)CC(Nc2cc(NN)nc(N)n2)CCO1.
What is the InChIKey of 4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is DUIXGQLGKSFGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-11(2)6-7(3-4-18-11)14-8-5-9(17-13)16-10(12)15-8/h5,7H,3-4,6,13H2,1-2H3,(H4,12,14,15,16,17).
What are the key properties of 4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine?
4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 252.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 83039065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).