5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine

C8H8FN5O — CID 81173686

IUPAC5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCc2ccon2)n1
InChIInChI=1S/C8H8FN5O/c9-6-4-12-8(10)13-7(6)11-3-5-1-2-15-14-5/h1-2,4H,3H2,(H3,10,11,12,13)
InChIKeyPCXSIRKEQILJQB-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.80
Rot. Bonds3

About 5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine

5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 81173686) has the molecular formula C8H8FN5O and a molecular weight of 209.18 g/mol. Its IUPAC name is 5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID81173686
Molecular FormulaC8H8FN5O
Molecular Weight209.18 g/mol
Exact Mass209.07
IUPAC Name5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCc2ccon2)n1
InChIInChI=1S/C8H8FN5O/c9-6-4-12-8(10)13-7(6)11-3-5-1-2-15-14-5/h1-2,4H,3H2,(H3,10,11,12,13)
InChIKeyPCXSIRKEQILJQB-UHFFFAOYSA-N
XLogP0.80
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (CID 81173686) is 5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is Nc1ncc(F)c(NCc2ccon2)n1.
What is the InChIKey of 5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is PCXSIRKEQILJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O/c9-6-4-12-8(10)13-7(6)11-3-5-1-2-15-14-5/h1-2,4H,3H2,(H3,10,11,12,13).
What are the key properties of 5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 209.18 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 81173686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).