4-tert-butyl-2-chloro-5-methoxypyrimidine

C9H13ClN2O — CID 151911521

IUPAC4-tert-butyl-2-chloro-5-methoxypyrimidine
SMILESCOc1cnc(Cl)nc1C(C)(C)C
InChIInChI=1S/C9H13ClN2O/c1-9(2,3)7-6(13-4)5-11-8(10)12-7/h5H,1-4H3
InChIKeySUWGHTXUEHVGDL-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.44
Rot. Bonds1

About 4-tert-butyl-2-chloro-5-methoxypyrimidine

4-tert-butyl-2-chloro-5-methoxypyrimidine (PubChem CID 151911521) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-5-methoxypyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-5-methoxypyrimidine
PubChem CID151911521
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-tert-butyl-2-chloro-5-methoxypyrimidine
SMILESCOc1cnc(Cl)nc1C(C)(C)C
InChIInChI=1S/C9H13ClN2O/c1-9(2,3)7-6(13-4)5-11-8(10)12-7/h5H,1-4H3
InChIKeySUWGHTXUEHVGDL-UHFFFAOYSA-N
XLogP2.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-chloro-5-methoxypyrimidine 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 4-tert-butyl-2-chloro-5-methoxypyrimidine?
The IUPAC name of 4-tert-butyl-2-chloro-5-methoxypyrimidine (CID 151911521) is 4-tert-butyl-2-chloro-5-methoxypyrimidine.
What is the SMILES notation for 4-tert-butyl-2-chloro-5-methoxypyrimidine?
The canonical SMILES for 4-tert-butyl-2-chloro-5-methoxypyrimidine is COc1cnc(Cl)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-chloro-5-methoxypyrimidine?
The InChIKey is SUWGHTXUEHVGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-9(2,3)7-6(13-4)5-11-8(10)12-7/h5H,1-4H3.
What are the key properties of 4-tert-butyl-2-chloro-5-methoxypyrimidine?
4-tert-butyl-2-chloro-5-methoxypyrimidine has a molecular weight of 200.67 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloro-5-methoxypyrimidine is sourced from PubChem (CID 151911521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).