2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide

C20H21N3O3 — CID 6539743

IUPAC2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide
SMILESCOc1ccc(-c2cc3c(NC(=O)CC4CCCC4)ncnc3o2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-15-8-6-14(7-9-15)17-11-16-19(21-12-22-20(16)26-17)23-18(24)10-13-4-2-3-5-13/h6-9,11-13H,2-5,10H2,1H3,(H,21,22,23,24)
InChIKeyZXBIDCJJNNCZQL-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.42
Rot. Bonds5

About 2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide

2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide (PubChem CID 6539743) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide
PubChem CID6539743
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide
SMILESCOc1ccc(-c2cc3c(NC(=O)CC4CCCC4)ncnc3o2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-15-8-6-14(7-9-15)17-11-16-19(21-12-22-20(16)26-17)23-18(24)10-13-4-2-3-5-13/h6-9,11-13H,2-5,10H2,1H3,(H,21,22,23,24)
InChIKeyZXBIDCJJNNCZQL-UHFFFAOYSA-N
XLogP4.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide (CID 6539743) is 2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide is COc1ccc(-c2cc3c(NC(=O)CC4CCCC4)ncnc3o2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide?
The InChIKey is ZXBIDCJJNNCZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-15-8-6-14(7-9-15)17-11-16-19(21-12-22-20(16)26-17)23-18(24)10-13-4-2-3-5-13/h6-9,11-13H,2-5,10H2,1H3,(H,21,22,23,24).
What are the key properties of 2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide?
2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 6539743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).