1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol

C15H18F2N6O — CID 145421224

IUPAC1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol
SMILESNNc1nc(C(F)(F)c2ccccc2)nc(N2CCC(O)C2)c1N
InChIInChI=1S/C15H18F2N6O/c16-15(17,9-4-2-1-3-5-9)14-20-12(22-19)11(18)13(21-14)23-7-6-10(24)8-23/h1-5,10,24H,6-8,18-19H2,(H,20,21,22)
InChIKeyOOGVBVRDBHXXMG-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.06
Rot. Bonds4

About 1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol

1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 145421224) has the molecular formula C15H18F2N6O and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID145421224
Molecular FormulaC15H18F2N6O
Molecular Weight336.35 g/mol
Exact Mass336.15
IUPAC Name1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol
SMILESNNc1nc(C(F)(F)c2ccccc2)nc(N2CCC(O)C2)c1N
InChIInChI=1S/C15H18F2N6O/c16-15(17,9-4-2-1-3-5-9)14-20-12(22-19)11(18)13(21-14)23-7-6-10(24)8-23/h1-5,10,24H,6-8,18-19H2,(H,20,21,22)
InChIKeyOOGVBVRDBHXXMG-UHFFFAOYSA-N
XLogP1.06
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.06
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol (CID 145421224) is 1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol is NNc1nc(C(F)(F)c2ccccc2)nc(N2CCC(O)C2)c1N.
What is the InChIKey of 1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is OOGVBVRDBHXXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N6O/c16-15(17,9-4-2-1-3-5-9)14-20-12(22-19)11(18)13(21-14)23-7-6-10(24)8-23/h1-5,10,24H,6-8,18-19H2,(H,20,21,22).
What are the key properties of 1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol?
1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 336.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 145421224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).