1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine

C9H15N3OS — CID 107511460

IUPAC1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCOCC(N)CSc1ncc(C)cn1
InChIInChI=1S/C9H15N3OS/c1-7-3-11-9(12-4-7)14-6-8(10)5-13-2/h3-4,8H,5-6,10H2,1-2H3
InChIKeyBKGGKRGKTRTEOJ-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.85
Rot. Bonds5

About 1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine

1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine (PubChem CID 107511460) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine
PubChem CID107511460
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCOCC(N)CSc1ncc(C)cn1
InChIInChI=1S/C9H15N3OS/c1-7-3-11-9(12-4-7)14-6-8(10)5-13-2/h3-4,8H,5-6,10H2,1-2H3
InChIKeyBKGGKRGKTRTEOJ-UHFFFAOYSA-N
XLogP0.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 64628587
1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 64626203
1-[(5-chloro-2-pyridinyl)sulfanyl]-3-methoxypropan-2-amine
CID 107511471
1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine
CID 107511293
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64626405
N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62580695
1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 107511553
1-cyclohexyl-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755796
N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62581397
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755803
2-[2-(bromomethyl)pentylsulfanyl]-5-methylpyrimidine
CID 65011235
N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 64626387

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine (CID 107511460) is 1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine is COCC(N)CSc1ncc(C)cn1.
What is the InChIKey of 1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The InChIKey is BKGGKRGKTRTEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-3-11-9(12-4-7)14-6-8(10)5-13-2/h3-4,8H,5-6,10H2,1-2H3.
What are the key properties of 1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine has a molecular weight of 213.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 107511460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).