1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

C13H23N5O — CID 80969713

IUPAC1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H23N5O/c1-4-18(8-13(2,3)19)11-7-10(17-14)15-12(16-11)9-5-6-9/h7,9,19H,4-6,8,14H2,1-3H3,(H,15,16,17)
InChIKeyWFEJPGMIUFABFN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.24
Rot. Bonds6

About 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 80969713) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID80969713
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H23N5O/c1-4-18(8-13(2,3)19)11-7-10(17-14)15-12(16-11)9-5-6-9/h7,9,19H,4-6,8,14H2,1-3H3,(H,15,16,17)
InChIKeyWFEJPGMIUFABFN-UHFFFAOYSA-N
XLogP1.24
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.24
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

2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80951461
1-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923771
1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80969607
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile
CID 80964347
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80965192
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 80968340
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
CID 80964091
1-[ethyl-(6-hydrazinyl-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 80922908
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80963769
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80964380
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide
CID 80961853

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (CID 80969713) is 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is WFEJPGMIUFABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-18(8-13(2,3)19)11-7-10(17-14)15-12(16-11)9-5-6-9/h7,9,19H,4-6,8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 265.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80969713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).