3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one

C13H12N4OS — CID 39818742

IUPAC3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one
SMILESC[C@H](Cc1ccsc1)n1cnc2nccnc2c1=O
InChIInChI=1S/C13H12N4OS/c1-9(6-10-2-5-19-7-10)17-8-16-12-11(13(17)18)14-3-4-15-12/h2-5,7-9H,6H2,1H3/t9-/m1/s1
InChIKeyBUSAXHAJCPYKKO-SECBINFHSA-N
MW272.33 g/mol
LogP2.05
Rot. Bonds3

About 3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one

3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one (PubChem CID 39818742) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one.

Molecular Properties

Compound Name3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one
PubChem CID39818742
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one
SMILESC[C@H](Cc1ccsc1)n1cnc2nccnc2c1=O
InChIInChI=1S/C13H12N4OS/c1-9(6-10-2-5-19-7-10)17-8-16-12-11(13(17)18)14-3-4-15-12/h2-5,7-9H,6H2,1H3/t9-/m1/s1
InChIKeyBUSAXHAJCPYKKO-SECBINFHSA-N
XLogP2.05
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid
CID 61477345
4-(1-thiophen-3-ylpropan-2-yl)-1H-1,2,4-triazole-5-thione
CID 61474669
[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol
CID 66150617
2-(furan-2-yl)-1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazole
CID 95559159
2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine
CID 95476705
1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
CID 62938696
2-methyl-N-[[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66146542
4-chloro-1-(1-thiophen-3-ylpropan-2-yl)pyrrole-2-carboxylic acid
CID 114604363
1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol
CID 67759146
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole
CID 95399118

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one?
The IUPAC name of 3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one (CID 39818742) is 3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one.
What is the SMILES notation for 3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one?
The canonical SMILES for 3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one is C[C@H](Cc1ccsc1)n1cnc2nccnc2c1=O.
What is the InChIKey of 3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one?
The InChIKey is BUSAXHAJCPYKKO-SECBINFHSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-9(6-10-2-5-19-7-10)17-8-16-12-11(13(17)18)14-3-4-15-12/h2-5,7-9H,6H2,1H3/t9-/m1/s1.
What are the key properties of 3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one?
3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one has a molecular weight of 272.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one is sourced from PubChem (CID 39818742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).