2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine

C13H17N3S — CID 78963637

IUPAC2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1cncnc1)c1cccs1
InChIInChI=1S/C13H17N3S/c1-13(2,12-4-3-5-17-12)9-14-6-11-7-15-10-16-8-11/h3-5,7-8,10,14H,6,9H2,1-2H3
InChIKeyCDNPWZPJBOEIEU-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.61
Rot. Bonds5

About 2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine

2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine (PubChem CID 78963637) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
PubChem CID78963637
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1cncnc1)c1cccs1
InChIInChI=1S/C13H17N3S/c1-13(2,12-4-3-5-17-12)9-14-6-11-7-15-10-16-8-11/h3-5,7-8,10,14H,6,9H2,1-2H3
InChIKeyCDNPWZPJBOEIEU-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114936828
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963161
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526354
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963375
2-methyl-N-(1H-pyrrol-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526029
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963168
N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 79032921
2-methyl-N-[(5-nitrothiophen-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963644
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963416
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526416
2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 79032042

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine (CID 78963637) is 2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine is CC(C)(CNCc1cncnc1)c1cccs1.
What is the InChIKey of 2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The InChIKey is CDNPWZPJBOEIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-13(2,12-4-3-5-17-12)9-14-6-11-7-15-10-16-8-11/h3-5,7-8,10,14H,6,9H2,1-2H3.
What are the key properties of 2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine has a molecular weight of 247.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 78963637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).