6-chloro-5-cyclobutylpyrimidin-4-amine

C8H10ClN3 — CID 91618704

IUPAC6-chloro-5-cyclobutylpyrimidin-4-amine
SMILESNc1ncnc(Cl)c1C1CCC1
InChIInChI=1S/C8H10ClN3/c9-7-6(5-2-1-3-5)8(10)12-4-11-7/h4-5H,1-3H2,(H2,10,11,12)
InChIKeyIUOWXJKQVWOIQH-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.98
Rot. Bonds1

About 6-chloro-5-cyclobutylpyrimidin-4-amine

6-chloro-5-cyclobutylpyrimidin-4-amine (PubChem CID 91618704) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 6-chloro-5-cyclobutylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-cyclobutylpyrimidin-4-amine
PubChem CID91618704
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name6-chloro-5-cyclobutylpyrimidin-4-amine
SMILESNc1ncnc(Cl)c1C1CCC1
InChIInChI=1S/C8H10ClN3/c9-7-6(5-2-1-3-5)8(10)12-4-11-7/h4-5H,1-3H2,(H2,10,11,12)
InChIKeyIUOWXJKQVWOIQH-UHFFFAOYSA-N
XLogP1.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cyclobutylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-cyclobutylpyrimidin-4-amine (CID 91618704) is 6-chloro-5-cyclobutylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-cyclobutylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-cyclobutylpyrimidin-4-amine is Nc1ncnc(Cl)c1C1CCC1.
What is the InChIKey of 6-chloro-5-cyclobutylpyrimidin-4-amine?
The InChIKey is IUOWXJKQVWOIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c9-7-6(5-2-1-3-5)8(10)12-4-11-7/h4-5H,1-3H2,(H2,10,11,12).
What are the key properties of 6-chloro-5-cyclobutylpyrimidin-4-amine?
6-chloro-5-cyclobutylpyrimidin-4-amine has a molecular weight of 183.64 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-cyclobutylpyrimidin-4-amine is sourced from PubChem (CID 91618704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).