N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine

C10H13FN6O — CID 106379061

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCc1nc(CNc2nc(NN)ncc2F)oc1C
InChIInChI=1S/C10H13FN6O/c1-5-6(2)18-8(15-5)4-13-9-7(11)3-14-10(16-9)17-12/h3H,4,12H2,1-2H3,(H2,13,14,16,17)
InChIKeyNKXCIFLYAXYXHI-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.12
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 106379061) has the molecular formula C10H13FN6O and a molecular weight of 252.25 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID106379061
Molecular FormulaC10H13FN6O
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCc1nc(CNc2nc(NN)ncc2F)oc1C
InChIInChI=1S/C10H13FN6O/c1-5-6(2)18-8(15-5)4-13-9-7(11)3-14-10(16-9)17-12/h3H,4,12H2,1-2H3,(H2,13,14,16,17)
InChIKeyNKXCIFLYAXYXHI-UHFFFAOYSA-N
XLogP1.12
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.12
H-Bond Donors ≤ 53
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 N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 106379061) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine is Cc1nc(CNc2nc(NN)ncc2F)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is NKXCIFLYAXYXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6O/c1-5-6(2)18-8(15-5)4-13-9-7(11)3-14-10(16-9)17-12/h3H,4,12H2,1-2H3,(H2,13,14,16,17).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 252.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 106379061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).