[1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol

C13H21N3O — CID 131933778

IUPAC[1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol
SMILESCc1ncc(CN(C)CC2(CO)CCC2)cn1
InChIInChI=1S/C13H21N3O/c1-11-14-6-12(7-15-11)8-16(2)9-13(10-17)4-3-5-13/h6-7,17H,3-5,8-10H2,1-2H3
InChIKeyLVDAXURWZVNMFC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds5

About [1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol

[1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol (PubChem CID 131933778) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol
PubChem CID131933778
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol
SMILESCc1ncc(CN(C)CC2(CO)CCC2)cn1
InChIInChI=1S/C13H21N3O/c1-11-14-6-12(7-15-11)8-16(2)9-13(10-17)4-3-5-13/h6-7,17H,3-5,8-10H2,1-2H3
InChIKeyLVDAXURWZVNMFC-UHFFFAOYSA-N
XLogP1.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol (CID 131933778) is [1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol is Cc1ncc(CN(C)CC2(CO)CCC2)cn1.
What is the InChIKey of [1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol?
The InChIKey is LVDAXURWZVNMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-14-6-12(7-15-11)8-16(2)9-13(10-17)4-3-5-13/h6-7,17H,3-5,8-10H2,1-2H3.
What are the key properties of [1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol?
[1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl-[(2-methylpyrimidin-5-yl)methyl]amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 131933778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).