N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

C8H12FN5 — CID 55279039

IUPACN-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(F)c(NCC2CC2)n1
InChIInChI=1S/C8H12FN5/c9-6-4-12-8(14-10)13-7(6)11-3-5-1-2-5/h4-5H,1-3,10H2,(H2,11,12,13,14)
InChIKeyOOEYWSCWDXUWJK-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.72
Rot. Bonds4

About N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 55279039) has the molecular formula C8H12FN5 and a molecular weight of 197.22 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID55279039
Molecular FormulaC8H12FN5
Molecular Weight197.22 g/mol
Exact Mass197.11
IUPAC NameN-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(F)c(NCC2CC2)n1
InChIInChI=1S/C8H12FN5/c9-6-4-12-8(14-10)13-7(6)11-3-5-1-2-5/h4-5H,1-3,10H2,(H2,11,12,13,14)
InChIKeyOOEYWSCWDXUWJK-UHFFFAOYSA-N
XLogP0.72
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 55279039) is N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is NNc1ncc(F)c(NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is OOEYWSCWDXUWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN5/c9-6-4-12-8(14-10)13-7(6)11-3-5-1-2-5/h4-5H,1-3,10H2,(H2,11,12,13,14).
What are the key properties of N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 197.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 55279039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).