6-tert-butyl-2-chloropyrimidin-4-amine

C8H12ClN3 — CID 58008872

IUPAC6-tert-butyl-2-chloropyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(Cl)n1
InChIInChI=1S/C8H12ClN3/c1-8(2,3)5-4-6(10)12-7(9)11-5/h4H,1-3H3,(H2,10,11,12)
InChIKeyYTWDXQFSSJRHBY-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.01
Rot. Bonds

About 6-tert-butyl-2-chloropyrimidin-4-amine

6-tert-butyl-2-chloropyrimidin-4-amine (PubChem CID 58008872) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 6-tert-butyl-2-chloropyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-chloropyrimidin-4-amine
PubChem CID58008872
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name6-tert-butyl-2-chloropyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(Cl)n1
InChIInChI=1S/C8H12ClN3/c1-8(2,3)5-4-6(10)12-7(9)11-5/h4H,1-3H3,(H2,10,11,12)
InChIKeyYTWDXQFSSJRHBY-UHFFFAOYSA-N
XLogP2.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-chloropyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-chloropyrimidin-4-amine (CID 58008872) is 6-tert-butyl-2-chloropyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-chloropyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-chloropyrimidin-4-amine is CC(C)(C)c1cc(N)nc(Cl)n1.
What is the InChIKey of 6-tert-butyl-2-chloropyrimidin-4-amine?
The InChIKey is YTWDXQFSSJRHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-8(2,3)5-4-6(10)12-7(9)11-5/h4H,1-3H3,(H2,10,11,12).
What are the key properties of 6-tert-butyl-2-chloropyrimidin-4-amine?
6-tert-butyl-2-chloropyrimidin-4-amine has a molecular weight of 185.66 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-chloropyrimidin-4-amine is sourced from PubChem (CID 58008872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).