1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

C12H23N5O — CID 80923163

IUPAC1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(C)nc(NN)c1C
InChIInChI=1S/C12H23N5O/c1-6-17(7-12(4,5)18)11-8(2)10(16-13)14-9(3)15-11/h18H,6-7,13H2,1-5H3,(H,14,15,16)
InChIKeyVZPISEBBRHAVNN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.98
Rot. Bonds5

About 1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 80923163) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID80923163
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(C)nc(NN)c1C
InChIInChI=1S/C12H23N5O/c1-6-17(7-12(4,5)18)11-8(2)10(16-13)14-9(3)15-11/h18H,6-7,13H2,1-5H3,(H,14,15,16)
InChIKeyVZPISEBBRHAVNN-UHFFFAOYSA-N
XLogP0.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.98
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

1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol
CID 80848781
1-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 102762264
N-ethyl-6-hydrazinyl-2,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80929470
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 81007045
N-cyclopropyl-N-ethyl-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80944707
1-[ethyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923421
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]ethanol
CID 80944403
1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 114150415
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80978477
2-tert-butyl-6-hydrazinyl-5-methyl-N,N-dipropylpyrimidin-4-amine
CID 81000249
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774157
5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207622

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 80923163) is 1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(C)nc(NN)c1C.
What is the InChIKey of 1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is VZPISEBBRHAVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-17(7-12(4,5)18)11-8(2)10(16-13)14-9(3)15-11/h18H,6-7,13H2,1-5H3,(H,14,15,16).
What are the key properties of 1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 80923163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).