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

C9H8ClFN4O — CID 79081663

IUPAC2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(CNc2nc(Cl)ncc2F)no1
InChIInChI=1S/C9H8ClFN4O/c1-5-2-6(15-16-5)3-12-8-7(11)4-13-9(10)14-8/h2,4H,3H2,1H3,(H,12,13,14)
InChIKeyCUGJNDKCJVYUQT-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.18
Rot. Bonds3

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

2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 79081663) has the molecular formula C9H8ClFN4O and a molecular weight of 242.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID79081663
Molecular FormulaC9H8ClFN4O
Molecular Weight242.64 g/mol
Exact Mass242.04
IUPAC Name2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(CNc2nc(Cl)ncc2F)no1
InChIInChI=1S/C9H8ClFN4O/c1-5-2-6(15-16-5)3-12-8-7(11)4-13-9(10)14-8/h2,4H,3H2,1H3,(H,12,13,14)
InChIKeyCUGJNDKCJVYUQT-UHFFFAOYSA-N
XLogP2.18
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine (CID 79081663) is 2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine is Cc1cc(CNc2nc(Cl)ncc2F)no1.
What is the InChIKey of 2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is CUGJNDKCJVYUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4O/c1-5-2-6(15-16-5)3-12-8-7(11)4-13-9(10)14-8/h2,4H,3H2,1H3,(H,12,13,14).
What are the key properties of 2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 242.64 g/mol, XLogP of 2.18, 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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79081663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).