6-cyclobutylpyrimidine-2,4-diamine

C8H12N4 — CID 156773674

IUPAC6-cyclobutylpyrimidine-2,4-diamine
SMILESNc1cc(C2CCC2)nc(N)n1
InChIInChI=1S/C8H12N4/c9-7-4-6(5-2-1-3-5)11-8(10)12-7/h4-5H,1-3H2,(H4,9,10,11,12)
InChIKeyYHLFJSBSPNPQAF-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.91
Rot. Bonds1

About 6-cyclobutylpyrimidine-2,4-diamine

6-cyclobutylpyrimidine-2,4-diamine (PubChem CID 156773674) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-cyclobutylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-cyclobutylpyrimidine-2,4-diamine
PubChem CID156773674
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name6-cyclobutylpyrimidine-2,4-diamine
SMILESNc1cc(C2CCC2)nc(N)n1
InChIInChI=1S/C8H12N4/c9-7-4-6(5-2-1-3-5)11-8(10)12-7/h4-5H,1-3H2,(H4,9,10,11,12)
InChIKeyYHLFJSBSPNPQAF-UHFFFAOYSA-N
XLogP0.91
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutylpyrimidine-2,4-diamine?
The IUPAC name of 6-cyclobutylpyrimidine-2,4-diamine (CID 156773674) is 6-cyclobutylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-cyclobutylpyrimidine-2,4-diamine?
The canonical SMILES for 6-cyclobutylpyrimidine-2,4-diamine is Nc1cc(C2CCC2)nc(N)n1.
What is the InChIKey of 6-cyclobutylpyrimidine-2,4-diamine?
The InChIKey is YHLFJSBSPNPQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c9-7-4-6(5-2-1-3-5)11-8(10)12-7/h4-5H,1-3H2,(H4,9,10,11,12).
What are the key properties of 6-cyclobutylpyrimidine-2,4-diamine?
6-cyclobutylpyrimidine-2,4-diamine has a molecular weight of 164.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutylpyrimidine-2,4-diamine is sourced from PubChem (CID 156773674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).