2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine

C11H17N3 — CID 64985726

IUPAC2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(C2CCC2)nc(N)c1C
InChIInChI=1S/C11H17N3/c1-3-9-7(2)10(12)14-11(13-9)8-5-4-6-8/h8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyIFHAJCPXWAOZBP-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.20
Rot. Bonds2

About 2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine

2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine (PubChem CID 64985726) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine
PubChem CID64985726
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(C2CCC2)nc(N)c1C
InChIInChI=1S/C11H17N3/c1-3-9-7(2)10(12)14-11(13-9)8-5-4-6-8/h8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyIFHAJCPXWAOZBP-UHFFFAOYSA-N
XLogP2.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine (CID 64985726) is 2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine is CCc1nc(C2CCC2)nc(N)c1C.
What is the InChIKey of 2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is IFHAJCPXWAOZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-9-7(2)10(12)14-11(13-9)8-5-4-6-8/h8H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine?
2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 191.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 64985726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).