1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine

C16H15N3S — CID 62749247

IUPAC1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1ccc(C(NCc2ccncn2)c2cccs2)cc1
InChIInChI=1S/C16H15N3S/c1-2-5-13(6-3-1)16(15-7-4-10-20-15)18-11-14-8-9-17-12-19-14/h1-10,12,16,18H,11H2
InChIKeyZHIAGMRHNQWVPR-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.42
Rot. Bonds5

About 1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine

1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 62749247) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID62749247
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1ccc(C(NCc2ccncn2)c2cccs2)cc1
InChIInChI=1S/C16H15N3S/c1-2-5-13(6-3-1)16(15-7-4-10-20-15)18-11-14-8-9-17-12-19-14/h1-10,12,16,18H,11H2
InChIKeyZHIAGMRHNQWVPR-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 81399207
2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
CID 62749098
2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62759109
2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 114110617
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410
N-[(2-methylpyrimidin-4-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 61015866
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
CID 55152743
N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43786376
N-[(3-methyltriazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 115682173
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224432

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine (CID 62749247) is 1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine is c1ccc(C(NCc2ccncn2)c2cccs2)cc1.
What is the InChIKey of 1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is ZHIAGMRHNQWVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-5-13(6-3-1)16(15-7-4-10-20-15)18-11-14-8-9-17-12-19-14/h1-10,12,16,18H,11H2.
What are the key properties of 1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine?
1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 281.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 62749247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).