3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine

C10H17N3OS — CID 102536022

IUPAC3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cnc(SC)nc1
InChIInChI=1S/C10H17N3OS/c1-14-5-3-4-11-6-9-7-12-10(15-2)13-8-9/h7-8,11H,3-6H2,1-2H3
InChIKeyFLIQCWXGARBSGY-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.32
Rot. Bonds7

About 3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine

3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 102536022) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine
PubChem CID102536022
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cnc(SC)nc1
InChIInChI=1S/C10H17N3OS/c1-14-5-3-4-11-6-9-7-12-10(15-2)13-8-9/h7-8,11H,3-6H2,1-2H3
InChIKeyFLIQCWXGARBSGY-UHFFFAOYSA-N
XLogP1.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536018
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 102536033
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 102536065
2-methoxy-N-[[2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-yl]methyl]ethanamine
CID 107761526
3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536443
3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine
CID 115765551
N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 28674357
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine
CID 102536624
N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17206437
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 63891754
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]heptan-1-amine
CID 102536055
5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine
CID 102536146

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine (CID 102536022) is 3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine is COCCCNCc1cnc(SC)nc1.
What is the InChIKey of 3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is FLIQCWXGARBSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-14-5-3-4-11-6-9-7-12-10(15-2)13-8-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine?
3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 102536022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).