N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

C20H15N5O — CID 60506387

IUPACN-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Cn2cc(Nc3ncnc4c3oc3ccccc34)cn2)cc1
InChIInChI=1S/C20H15N5O/c1-2-6-14(7-3-1)11-25-12-15(10-23-25)24-20-19-18(21-13-22-20)16-8-4-5-9-17(16)26-19/h1-10,12-13H,11H2,(H,21,22,24)
InChIKeyKQEFAFMSBVAJBG-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.36
Rot. Bonds4

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

N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 60506387) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID60506387
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC NameN-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Cn2cc(Nc3ncnc4c3oc3ccccc34)cn2)cc1
InChIInChI=1S/C20H15N5O/c1-2-6-14(7-3-1)11-25-12-15(10-23-25)24-20-19-18(21-13-22-20)16-8-4-5-9-17(16)26-19/h1-10,12-13H,11H2,(H,21,22,24)
InChIKeyKQEFAFMSBVAJBG-UHFFFAOYSA-N
XLogP4.36
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 133330317
N-[[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide
CID 155947499
N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133281821
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine
CID 56557436
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol
CID 664112
N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 31054972
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide
CID 133279534
N-(1-benzylpyrazol-4-yl)pyridin-2-amine
CID 82537528
N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine
CID 164643893
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate
CID 6949779
N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 75415291

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 60506387) is N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is c1ccc(Cn2cc(Nc3ncnc4c3oc3ccccc34)cn2)cc1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is KQEFAFMSBVAJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-2-6-14(7-3-1)11-25-12-15(10-23-25)24-20-19-18(21-13-22-20)16-8-4-5-9-17(16)26-19/h1-10,12-13H,11H2,(H,21,22,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 341.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 60506387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).