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

C19H15N3O3 — CID 32682406

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1ccc2c(c1)OCO2)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C19H15N3O3/c1-22(9-12-6-7-15-16(8-12)24-11-23-15)19-18-17(20-10-21-19)13-4-2-3-5-14(13)25-18/h2-8,10H,9,11H2,1H3
InChIKeyYMTBZCWPBYAXDS-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.74
Rot. Bonds3

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

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 32682406) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID32682406
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1ccc2c(c1)OCO2)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C19H15N3O3/c1-22(9-12-6-7-15-16(8-12)24-11-23-15)19-18-17(20-10-21-19)13-4-2-3-5-14(13)25-18/h2-8,10H,9,11H2,1H3
InChIKeyYMTBZCWPBYAXDS-UHFFFAOYSA-N
XLogP3.74
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 24607845
N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 56777633
N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133307707
2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135751387
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine
CID 155975046
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 138043909
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110436403
N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide;propanoic acid
CID 25050188
N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide
CID 133303979
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-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine
CID 171329075

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 32682406) is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CN(Cc1ccc2c(c1)OCO2)c1ncnc2c1oc1ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is YMTBZCWPBYAXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-22(9-12-6-7-15-16(8-12)24-11-23-15)19-18-17(20-10-21-19)13-4-2-3-5-14(13)25-18/h2-8,10H,9,11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 333.35 g/mol, XLogP of 3.74, 3 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-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 32682406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).