5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine

C9H16ClN5 — CID 80898024

IUPAC5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)CNc1nc(NN)ncc1Cl
InChIInChI=1S/C9H16ClN5/c1-9(2,3)5-13-7-6(10)4-12-8(14-7)15-11/h4H,5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyIJLNJILHTDENIE-UHFFFAOYSA-N
MW229.72 g/mol
LogP1.87
Rot. Bonds3

About 5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine

5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80898024) has the molecular formula C9H16ClN5 and a molecular weight of 229.72 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80898024
Molecular FormulaC9H16ClN5
Molecular Weight229.72 g/mol
Exact Mass229.11
IUPAC Name5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)CNc1nc(NN)ncc1Cl
InChIInChI=1S/C9H16ClN5/c1-9(2,3)5-13-7-6(10)4-12-8(14-7)15-11/h4H,5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyIJLNJILHTDENIE-UHFFFAOYSA-N
XLogP1.87
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.72
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366625
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913327
N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908156
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80903270
1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915223
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80928877
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80930673
5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80903865

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine (CID 80898024) is 5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine is CC(C)(C)CNc1nc(NN)ncc1Cl.
What is the InChIKey of 5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is IJLNJILHTDENIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-9(2,3)5-13-7-6(10)4-12-8(14-7)15-11/h4H,5,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine?
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 229.72 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80898024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).