N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide

C15H13N3O3 — CID 50940980

IUPACN-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1
InChIInChI=1S/C15H13N3O3/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)
InChIKeyJWCIVMRVTPGJHY-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.35
Rot. Bonds4

About N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide

N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide (PubChem CID 50940980) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide
PubChem CID50940980
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1
InChIInChI=1S/C15H13N3O3/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)
InChIKeyJWCIVMRVTPGJHY-UHFFFAOYSA-N
XLogP3.35
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide?
The IUPAC name of N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide (CID 50940980) is N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide.
What is the SMILES notation for N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide?
The canonical SMILES for N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide is CCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1.
What is the InChIKey of N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide?
The InChIKey is JWCIVMRVTPGJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/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-bis(furan-3-yl)pyrimidin-4-yl]propanamide?
N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide has a molecular weight of 283.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]propanamide is sourced from PubChem (CID 50940980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).