N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine

C13H21N3O — CID 112747638

IUPACN-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1c1cnc(OC)nc1
InChIInChI=1S/C13H21N3O/c1-3-6-14-7-10-4-5-12(10)11-8-15-13(17-2)16-9-11/h8-10,12,14H,3-7H2,1-2H3
InChIKeyRZOIPCMFENXOGW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.98
Rot. Bonds6

About N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine

N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 112747638) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID112747638
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1c1cnc(OC)nc1
InChIInChI=1S/C13H21N3O/c1-3-6-14-7-10-4-5-12(10)11-8-15-13(17-2)16-9-11/h8-10,12,14H,3-7H2,1-2H3
InChIKeyRZOIPCMFENXOGW-UHFFFAOYSA-N
XLogP1.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine (CID 112747638) is N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1c1cnc(OC)nc1.
What is the InChIKey of N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is RZOIPCMFENXOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-6-14-7-10-4-5-12(10)11-8-15-13(17-2)16-9-11/h8-10,12,14H,3-7H2,1-2H3.
What are the key properties of N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine?
N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 112747638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).