2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide

C19H21N5O2 — CID 34042276

IUPAC2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(c2ncnc3c2oc2ccccc23)CC1)NC1CC1
InChIInChI=1S/C19H21N5O2/c25-16(22-13-5-6-13)11-23-7-9-24(10-8-23)19-18-17(20-12-21-19)14-3-1-2-4-15(14)26-18/h1-4,12-13H,5-11H2,(H,22,25)
InChIKeyGRAQVUQEWQZRQO-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.78
Rot. Bonds4

About 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 34042276) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID34042276
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(c2ncnc3c2oc2ccccc23)CC1)NC1CC1
InChIInChI=1S/C19H21N5O2/c25-16(22-13-5-6-13)11-23-7-9-24(10-8-23)19-18-17(20-12-21-19)14-3-1-2-4-15(14)26-18/h1-4,12-13H,5-11H2,(H,22,25)
InChIKeyGRAQVUQEWQZRQO-UHFFFAOYSA-N
XLogP1.78
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 133285409
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 92884501
4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 35784873
4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 660262
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(1-benzylpiperidin-4-yl)piperidine-3-carboxamide
CID 51661850
ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride
CID 2952391
2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide
CID 126826467
(2S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 6546523
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26736638
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 55967455
4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4291606
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388759

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide (CID 34042276) is 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(c2ncnc3c2oc2ccccc23)CC1)NC1CC1.
What is the InChIKey of 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is GRAQVUQEWQZRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-16(22-13-5-6-13)11-23-7-9-24(10-8-23)19-18-17(20-12-21-19)14-3-1-2-4-15(14)26-18/h1-4,12-13H,5-11H2,(H,22,25).
What are the key properties of 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 351.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 34042276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).