1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine

C16H17N3OS — CID 64627448

IUPAC1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
SMILESCCNC(CSc1ccncn1)c1cc2ccccc2o1
InChIInChI=1S/C16H17N3OS/c1-2-18-13(10-21-16-7-8-17-11-19-16)15-9-12-5-3-4-6-14(12)20-15/h3-9,11,13,18H,2,10H2,1H3
InChIKeyUREVBIDWHJUKTC-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.67
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine

1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine (PubChem CID 64627448) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
PubChem CID64627448
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
SMILESCCNC(CSc1ccncn1)c1cc2ccccc2o1
InChIInChI=1S/C16H17N3OS/c1-2-18-13(10-21-16-7-8-17-11-19-16)15-9-12-5-3-4-6-14(12)20-15/h3-9,11,13,18H,2,10H2,1H3
InChIKeyUREVBIDWHJUKTC-UHFFFAOYSA-N
XLogP3.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzofuran-2-yl)-N-ethyl-2-pyrazin-2-ylsulfanylethanamine
CID 64628226
1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927426
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64626452
1-(1-benzofuran-2-yl)-2-[(5-bromo-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 64631060
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol
CID 64808416
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine
CID 107511428
N-[1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethyl]propan-1-amine
CID 64627451
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine (CID 64627448) is 1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine is CCNC(CSc1ccncn1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine?
The InChIKey is UREVBIDWHJUKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-18-13(10-21-16-7-8-17-11-19-16)15-9-12-5-3-4-6-14(12)20-15/h3-9,11,13,18H,2,10H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine?
1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine has a molecular weight of 299.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine is sourced from PubChem (CID 64627448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).