N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide

C14H11N5O2 — CID 46880331

IUPACN-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccncn2)c(-c2ccco2)n1
InChIInChI=1S/C14H11N5O2/c1-9(20)18-14-16-7-10(11-4-5-15-8-17-11)13(19-14)12-3-2-6-21-12/h2-8H,1H3,(H,16,18,19,20)
InChIKeyQYXNWOQUDNWQDA-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.15
Rot. Bonds3

About N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide

N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide (PubChem CID 46880331) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide
PubChem CID46880331
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC NameN-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccncn2)c(-c2ccco2)n1
InChIInChI=1S/C14H11N5O2/c1-9(20)18-14-16-7-10(11-4-5-15-8-17-11)13(19-14)12-3-2-6-21-12/h2-8H,1H3,(H,16,18,19,20)
InChIKeyQYXNWOQUDNWQDA-UHFFFAOYSA-N
XLogP2.15
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide (CID 46880331) is N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide is CC(=O)Nc1ncc(-c2ccncn2)c(-c2ccco2)n1.
What is the InChIKey of N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide?
The InChIKey is QYXNWOQUDNWQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c1-9(20)18-14-16-7-10(11-4-5-15-8-17-11)13(19-14)12-3-2-6-21-12/h2-8H,1H3,(H,16,18,19,20).
What are the key properties of N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide?
N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide has a molecular weight of 281.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]acetamide is sourced from PubChem (CID 46880331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).