[1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

C14H23N3O — CID 131905026

IUPAC[1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESCCCc1cnc(C)nc1NCC1(CO)CCC1
InChIInChI=1S/C14H23N3O/c1-3-5-12-8-15-11(2)17-13(12)16-9-14(10-18)6-4-7-14/h8,18H,3-7,9-10H2,1-2H3,(H,15,16,17)
InChIKeyOGARYADIPFELKK-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.31
Rot. Bonds6

About [1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

[1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (PubChem CID 131905026) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
PubChem CID131905026
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESCCCc1cnc(C)nc1NCC1(CO)CCC1
InChIInChI=1S/C14H23N3O/c1-3-5-12-8-15-11(2)17-13(12)16-9-14(10-18)6-4-7-14/h8,18H,3-7,9-10H2,1-2H3,(H,15,16,17)
InChIKeyOGARYADIPFELKK-UHFFFAOYSA-N
XLogP2.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (CID 131905026) is [1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is CCCc1cnc(C)nc1NCC1(CO)CCC1.
What is the InChIKey of [1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The InChIKey is OGARYADIPFELKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-5-12-8-15-11(2)17-13(12)16-9-14(10-18)6-4-7-14/h8,18H,3-7,9-10H2,1-2H3,(H,15,16,17).
What are the key properties of [1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
[1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 131905026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).