N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

C20H17N3O3 — CID 24607845

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCN(Cc1ccc2c(c1)OCO2)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C20H17N3O3/c1-2-23(10-13-7-8-16-17(9-13)25-12-24-16)20-19-18(21-11-22-20)14-5-3-4-6-15(14)26-19/h3-9,11H,2,10,12H2,1H3
InChIKeyVRSAKEXERMFVNA-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.13
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 24607845) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID24607845
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCN(Cc1ccc2c(c1)OCO2)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C20H17N3O3/c1-2-23(10-13-7-8-16-17(9-13)25-12-24-16)20-19-18(21-11-22-20)14-5-3-4-6-15(14)26-19/h3-9,11H,2,10,12H2,1H3
InChIKeyVRSAKEXERMFVNA-UHFFFAOYSA-N
XLogP4.13
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 32682406
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135751387
N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 56777633
N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide;propanoic acid
CID 25050188
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine
CID 24679697
2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide
CID 133272030
1,3-benzodioxol-5-yl-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 24679751
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24679695
N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133307707
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110436403
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine
CID 133384360

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 24607845) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CCN(Cc1ccc2c(c1)OCO2)c1ncnc2c1oc1ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is VRSAKEXERMFVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-2-23(10-13-7-8-16-17(9-13)25-12-24-16)20-19-18(21-11-22-20)14-5-3-4-6-15(14)26-19/h3-9,11H,2,10,12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 347.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 24607845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).