6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine

C12H23N5 — CID 80903091

IUPAC6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)CC(C)(C)Nc1cc(NN)ncn1
InChIInChI=1S/C12H23N5/c1-11(2,3)7-12(4,5)16-9-6-10(17-13)15-8-14-9/h6,8H,7,13H2,1-5H3,(H2,14,15,16,17)
InChIKeyFRGXJUJZVDNAEK-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.39
Rot. Bonds4

About 6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine

6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine (PubChem CID 80903091) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
PubChem CID80903091
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)CC(C)(C)Nc1cc(NN)ncn1
InChIInChI=1S/C12H23N5/c1-11(2,3)7-12(4,5)16-9-6-10(17-13)15-8-14-9/h6,8H,7,13H2,1-5H3,(H2,14,15,16,17)
InChIKeyFRGXJUJZVDNAEK-UHFFFAOYSA-N
XLogP2.39
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.39
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

4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80811854
N-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80920027
6-hydrazinyl-2-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 106775571
6-hydrazinyl-4-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyridin-2-amine
CID 102720633
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 106179583
3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80915064
N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine
CID 80926441
N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine
CID 126987889
2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 115416506
2-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 80906308
6-hydrazinyl-2-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 80921159

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine (CID 80903091) is 6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine is CC(C)(C)CC(C)(C)Nc1cc(NN)ncn1.
What is the InChIKey of 6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The InChIKey is FRGXJUJZVDNAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-11(2,3)7-12(4,5)16-9-6-10(17-13)15-8-14-9/h6,8H,7,13H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80903091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).