3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide

C20H18N4O2 — CID 133279534

IUPAC3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide
SMILESO=C(CCNc1ncnc2c1oc1ccccc12)NCc1ccccc1
InChIInChI=1S/C20H18N4O2/c25-17(22-12-14-6-2-1-3-7-14)10-11-21-20-19-18(23-13-24-20)15-8-4-5-9-16(15)26-19/h1-9,13H,10-12H2,(H,22,25)(H,21,23,24)
InChIKeyHGJXKIZKRLBWIN-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.49
Rot. Bonds6

About 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide

3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide (PubChem CID 133279534) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide
PubChem CID133279534
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide
SMILESO=C(CCNc1ncnc2c1oc1ccccc12)NCc1ccccc1
InChIInChI=1S/C20H18N4O2/c25-17(22-12-14-6-2-1-3-7-14)10-11-21-20-19-18(23-13-24-20)15-8-4-5-9-16(15)26-19/h1-9,13H,10-12H2,(H,22,25)(H,21,23,24)
InChIKeyHGJXKIZKRLBWIN-UHFFFAOYSA-N
XLogP3.49
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 75415291
N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide
CID 155947499
4-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]benzonitrile
CID 91641638
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide
CID 60507824
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate
CID 6949779
N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 8005233
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanenitrile
CID 133299937
N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3599381
N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133281821
3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide
CID 51126583
methyl 2-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]-3-(4-hydroxyphenyl)propanoate
CID 133312850
N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 133296162

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide?
The IUPAC name of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide (CID 133279534) is 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide.
What is the SMILES notation for 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide?
The canonical SMILES for 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide is O=C(CCNc1ncnc2c1oc1ccccc12)NCc1ccccc1.
What is the InChIKey of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide?
The InChIKey is HGJXKIZKRLBWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-17(22-12-14-6-2-1-3-7-14)10-11-21-20-19-18(23-13-24-20)15-8-4-5-9-16(15)26-19/h1-9,13H,10-12H2,(H,22,25)(H,21,23,24).
What are the key properties of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide?
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide has a molecular weight of 346.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide is sourced from PubChem (CID 133279534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).