3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C14H28N6 — CID 80963806

IUPAC3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)Nc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C14H28N6/c1-10(7-8-20(5)6)16-11-9-12(19-15)18-13(17-11)14(2,3)4/h9-10H,7-8,15H2,1-6H3,(H2,16,17,18,19)
InChIKeyFJSDQKNCANPBFL-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.81
Rot. Bonds6

About 3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 80963806) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID80963806
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)Nc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C14H28N6/c1-10(7-8-20(5)6)16-11-9-12(19-15)18-13(17-11)14(2,3)4/h9-10H,7-8,15H2,1-6H3,(H2,16,17,18,19)
InChIKeyFJSDQKNCANPBFL-UHFFFAOYSA-N
XLogP1.81
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771304
(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968489
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol
CID 80968241
4-N-[4-(dimethylamino)butan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960568
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968898
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80968252
2-ethyl-6-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80940178
3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 102761814
4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine
CID 80907899

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 80963806) is 3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)Nc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of 3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is FJSDQKNCANPBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-10(7-8-20(5)6)16-11-9-12(19-15)18-13(17-11)14(2,3)4/h9-10H,7-8,15H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 280.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 80963806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).