N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide

C15H13N3OS2 — CID 50940981

IUPACN-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1
InChIInChI=1S/C15H13N3OS2/c1-2-14(19)17-13-7-12(10-3-5-20-8-10)16-15(18-13)11-4-6-21-9-11/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyUHXRXYHGDPUNGT-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.28
Rot. Bonds4

About N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide

N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide (PubChem CID 50940981) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide
PubChem CID50940981
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1
InChIInChI=1S/C15H13N3OS2/c1-2-14(19)17-13-7-12(10-3-5-20-8-10)16-15(18-13)11-4-6-21-9-11/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyUHXRXYHGDPUNGT-UHFFFAOYSA-N
XLogP4.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide?
The IUPAC name of N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide (CID 50940981) is N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide.
What is the SMILES notation for N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide?
The canonical SMILES for N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide is CCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1.
What is the InChIKey of N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide?
The InChIKey is UHXRXYHGDPUNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-2-14(19)17-13-7-12(10-3-5-20-8-10)16-15(18-13)11-4-6-21-9-11/h3-9H,2H2,1H3,(H,16,17,18,19).
What are the key properties of N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide?
N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]propanamide is sourced from PubChem (CID 50940981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).