1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine

C13H15N3OS — CID 64627645

IUPAC1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCOc1ccccc1C(N)CSc1ccncn1
InChIInChI=1S/C13H15N3OS/c1-17-12-5-3-2-4-10(12)11(14)8-18-13-6-7-15-9-16-13/h2-7,9,11H,8,14H2,1H3
InChIKeyJMSWMSAXKLOHRO-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.28
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine

1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine (PubChem CID 64627645) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
PubChem CID64627645
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCOc1ccccc1C(N)CSc1ccncn1
InChIInChI=1S/C13H15N3OS/c1-17-12-5-3-2-4-10(12)11(14)8-18-13-6-7-15-9-16-13/h2-7,9,11H,8,14H2,1H3
InChIKeyJMSWMSAXKLOHRO-UHFFFAOYSA-N
XLogP2.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649689
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64625639
1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64628452
1-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649620
1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64628426
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733
1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64628453
1-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64647920
1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 64611517
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 64648241
N-[1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethyl]propan-1-amine
CID 64627451
methyl 2-(propan-2-ylamino)-3-pyrimidin-4-ylsulfanylpropanoate
CID 63695897

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine (CID 64627645) is 1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine is COc1ccccc1C(N)CSc1ccncn1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The InChIKey is JMSWMSAXKLOHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-17-12-5-3-2-4-10(12)11(14)8-18-13-6-7-15-9-16-13/h2-7,9,11H,8,14H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine has a molecular weight of 261.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine is sourced from PubChem (CID 64627645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).