4-tert-butyl-5-chloro-2-methylpyrimidine

C9H13ClN2 — CID 146376754

IUPAC4-tert-butyl-5-chloro-2-methylpyrimidine
SMILESCc1ncc(Cl)c(C(C)(C)C)n1
InChIInChI=1S/C9H13ClN2/c1-6-11-5-7(10)8(12-6)9(2,3)4/h5H,1-4H3
InChIKeyVXBQRJPKBPBTAP-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.74
Rot. Bonds

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

4-tert-butyl-5-chloro-2-methylpyrimidine (PubChem CID 146376754) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-2-methylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-2-methylpyrimidine
PubChem CID146376754
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name4-tert-butyl-5-chloro-2-methylpyrimidine
SMILESCc1ncc(Cl)c(C(C)(C)C)n1
InChIInChI=1S/C9H13ClN2/c1-6-11-5-7(10)8(12-6)9(2,3)4/h5H,1-4H3
InChIKeyVXBQRJPKBPBTAP-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-2-methylpyrimidine?
The IUPAC name of 4-tert-butyl-5-chloro-2-methylpyrimidine (CID 146376754) is 4-tert-butyl-5-chloro-2-methylpyrimidine.
What is the SMILES notation for 4-tert-butyl-5-chloro-2-methylpyrimidine?
The canonical SMILES for 4-tert-butyl-5-chloro-2-methylpyrimidine is Cc1ncc(Cl)c(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-5-chloro-2-methylpyrimidine?
The InChIKey is VXBQRJPKBPBTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6-11-5-7(10)8(12-6)9(2,3)4/h5H,1-4H3.
What are the key properties of 4-tert-butyl-5-chloro-2-methylpyrimidine?
4-tert-butyl-5-chloro-2-methylpyrimidine has a molecular weight of 184.67 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-2-methylpyrimidine is sourced from PubChem (CID 146376754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).