2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine

C8H6ClFN4O — CID 81178030

IUPAC2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1ccon1
InChIInChI=1S/C8H6ClFN4O/c9-8-12-4-6(10)7(13-8)11-3-5-1-2-15-14-5/h1-2,4H,3H2,(H,11,12,13)
InChIKeyHJLVPZQJMVMVJE-UHFFFAOYSA-N
MW228.61 g/mol
LogP1.87
Rot. Bonds3

About 2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine (PubChem CID 81178030) has the molecular formula C8H6ClFN4O and a molecular weight of 228.61 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
PubChem CID81178030
Molecular FormulaC8H6ClFN4O
Molecular Weight228.61 g/mol
Exact Mass228.02
IUPAC Name2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1ccon1
InChIInChI=1S/C8H6ClFN4O/c9-8-12-4-6(10)7(13-8)11-3-5-1-2-15-14-5/h1-2,4H,3H2,(H,11,12,13)
InChIKeyHJLVPZQJMVMVJE-UHFFFAOYSA-N
XLogP1.87
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine (CID 81178030) is 2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine is Fc1cnc(Cl)nc1NCc1ccon1.
What is the InChIKey of 2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is HJLVPZQJMVMVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4O/c9-8-12-4-6(10)7(13-8)11-3-5-1-2-15-14-5/h1-2,4H,3H2,(H,11,12,13).
What are the key properties of 2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 228.61 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 81178030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).