[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

C13H21N3O — CID 72839408

IUPAC[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESCC(C)c1cc(NCC2(CO)CCC2)ncn1
InChIInChI=1S/C13H21N3O/c1-10(2)11-6-12(16-9-15-11)14-7-13(8-17)4-3-5-13/h6,9-10,17H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyRADACZUVNCUOFR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds5

About [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (PubChem CID 72839408) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
PubChem CID72839408
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESCC(C)c1cc(NCC2(CO)CCC2)ncn1
InChIInChI=1S/C13H21N3O/c1-10(2)11-6-12(16-9-15-11)14-7-13(8-17)4-3-5-13/h6,9-10,17H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyRADACZUVNCUOFR-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (CID 72839408) is [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is CC(C)c1cc(NCC2(CO)CCC2)ncn1.
What is the InChIKey of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The InChIKey is RADACZUVNCUOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)11-6-12(16-9-15-11)14-7-13(8-17)4-3-5-13/h6,9-10,17H,3-5,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 72839408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).