1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C15H21N3OS — CID 102952185

IUPAC1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cc(OC)ncn1
InChIInChI=1S/C15H21N3OS/c1-3-8-16-13(7-6-12-5-4-9-20-12)14-10-15(19-2)18-11-17-14/h4-5,9-11,13,16H,3,6-8H2,1-2H3
InChIKeyVPKHRRFEDYCLFC-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.22
Rot. Bonds8

About 1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 102952185) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID102952185
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cc(OC)ncn1
InChIInChI=1S/C15H21N3OS/c1-3-8-16-13(7-6-12-5-4-9-20-12)14-10-15(19-2)18-11-17-14/h4-5,9-11,13,16H,3,6-8H2,1-2H3
InChIKeyVPKHRRFEDYCLFC-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 102951660
1-(6-methyl-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63773530
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79712986
1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine
CID 102952073
1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 112735841
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860668
N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81153016
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 103374100
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 102952185) is 1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is VPKHRRFEDYCLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-8-16-13(7-6-12-5-4-9-20-12)14-10-15(19-2)18-11-17-14/h4-5,9-11,13,16H,3,6-8H2,1-2H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 102952185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).