1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol

C13H21N3O — CID 56878703

IUPAC1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol
SMILESCCC(O)CNc1nc(C)cc(C2CCC2)n1
InChIInChI=1S/C13H21N3O/c1-3-11(17)8-14-13-15-9(2)7-12(16-13)10-5-4-6-10/h7,10-11,17H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyCNNLILMJUSFWRW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds5

About 1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol

1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol (PubChem CID 56878703) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol
PubChem CID56878703
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol
SMILESCCC(O)CNc1nc(C)cc(C2CCC2)n1
InChIInChI=1S/C13H21N3O/c1-3-11(17)8-14-13-15-9(2)7-12(16-13)10-5-4-6-10/h7,10-11,17H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyCNNLILMJUSFWRW-UHFFFAOYSA-N
XLogP2.24
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol?
The IUPAC name of 1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol (CID 56878703) is 1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol.
What is the SMILES notation for 1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol?
The canonical SMILES for 1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol is CCC(O)CNc1nc(C)cc(C2CCC2)n1.
What is the InChIKey of 1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol?
The InChIKey is CNNLILMJUSFWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-11(17)8-14-13-15-9(2)7-12(16-13)10-5-4-6-10/h7,10-11,17H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol?
1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 56878703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).