2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol

C12H23N5O2 — CID 81007643

IUPAC2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCc1c(NN)nc(C(C)(C)C)nc1NC(CO)CO
InChIInChI=1S/C12H23N5O2/c1-7-9(14-8(5-18)6-19)15-11(12(2,3)4)16-10(7)17-13/h8,18-19H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyFNEMMWHBIPXZEZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.13
Rot. Bonds5

About 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol

2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol (PubChem CID 81007643) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
PubChem CID81007643
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCc1c(NN)nc(C(C)(C)C)nc1NC(CO)CO
InChIInChI=1S/C12H23N5O2/c1-7-9(14-8(5-18)6-19)15-11(12(2,3)4)16-10(7)17-13/h8,18-19H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyFNEMMWHBIPXZEZ-UHFFFAOYSA-N
XLogP0.13
TPSA116.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006064
2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 104830685
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198680
2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950187
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198990
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347652
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 81006921
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80995102
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006696
2-tert-butyl-N-(3-ethylpentan-3-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007026
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 81006589

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol (CID 81007643) is 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol is Cc1c(NN)nc(C(C)(C)C)nc1NC(CO)CO.
What is the InChIKey of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol?
The InChIKey is FNEMMWHBIPXZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-7-9(14-8(5-18)6-19)15-11(12(2,3)4)16-10(7)17-13/h8,18-19H,5-6,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol?
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol has a molecular weight of 269.35 g/mol, XLogP of 0.13, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 81007643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).