5-chloro-2-methyl-4-propan-2-ylpyrimidine

C8H11ClN2 — CID 147054546

IUPAC5-chloro-2-methyl-4-propan-2-ylpyrimidine
SMILESCc1ncc(Cl)c(C(C)C)n1
InChIInChI=1S/C8H11ClN2/c1-5(2)8-7(9)4-10-6(3)11-8/h4-5H,1-3H3
InChIKeyBBYWYNSYWWYSKL-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.56
Rot. Bonds1

About 5-chloro-2-methyl-4-propan-2-ylpyrimidine

5-chloro-2-methyl-4-propan-2-ylpyrimidine (PubChem CID 147054546) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-chloro-2-methyl-4-propan-2-ylpyrimidine
PubChem CID147054546
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name5-chloro-2-methyl-4-propan-2-ylpyrimidine
SMILESCc1ncc(Cl)c(C(C)C)n1
InChIInChI=1S/C8H11ClN2/c1-5(2)8-7(9)4-10-6(3)11-8/h4-5H,1-3H3
InChIKeyBBYWYNSYWWYSKL-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-propan-2-ylpyrimidine?
The IUPAC name of 5-chloro-2-methyl-4-propan-2-ylpyrimidine (CID 147054546) is 5-chloro-2-methyl-4-propan-2-ylpyrimidine.
What is the SMILES notation for 5-chloro-2-methyl-4-propan-2-ylpyrimidine?
The canonical SMILES for 5-chloro-2-methyl-4-propan-2-ylpyrimidine is Cc1ncc(Cl)c(C(C)C)n1.
What is the InChIKey of 5-chloro-2-methyl-4-propan-2-ylpyrimidine?
The InChIKey is BBYWYNSYWWYSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-5(2)8-7(9)4-10-6(3)11-8/h4-5H,1-3H3.
What are the key properties of 5-chloro-2-methyl-4-propan-2-ylpyrimidine?
5-chloro-2-methyl-4-propan-2-ylpyrimidine has a molecular weight of 170.64 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-propan-2-ylpyrimidine is sourced from PubChem (CID 147054546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).