1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine

C14H17N3O2S — CID 64625639

IUPAC1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCOc1ccc(OC)c(C(N)CSc2ccncn2)c1
InChIInChI=1S/C14H17N3O2S/c1-18-10-3-4-13(19-2)11(7-10)12(15)8-20-14-5-6-16-9-17-14/h3-7,9,12H,8,15H2,1-2H3
InChIKeyUPLQZZPEPDMRJC-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.29
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine

1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine (PubChem CID 64625639) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
PubChem CID64625639
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCOc1ccc(OC)c(C(N)CSc2ccncn2)c1
InChIInChI=1S/C14H17N3O2S/c1-18-10-3-4-13(19-2)11(7-10)12(15)8-20-14-5-6-16-9-17-14/h3-7,9,12H,8,15H2,1-2H3
InChIKeyUPLQZZPEPDMRJC-UHFFFAOYSA-N
XLogP2.29
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64627645
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733
1-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604552
1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64628304
1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64628452
1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649689
1-(2,5-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64627526
1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 64621439
1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927992
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64628426
1-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649620

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine (CID 64625639) is 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine is COc1ccc(OC)c(C(N)CSc2ccncn2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The InChIKey is UPLQZZPEPDMRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-18-10-3-4-13(19-2)11(7-10)12(15)8-20-14-5-6-16-9-17-14/h3-7,9,12H,8,15H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine has a molecular weight of 291.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine is sourced from PubChem (CID 64625639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).