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

C16H13N5O — CID 133307707

IUPACN-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1cnccn1)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C16H13N5O/c1-21(9-11-8-17-6-7-18-11)16-15-14(19-10-20-16)12-4-2-3-5-13(12)22-15/h2-8,10H,9H2,1H3
InChIKeyQIVRPYGUOBOHOM-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.80
Rot. Bonds3

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

N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 133307707) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID133307707
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1cnccn1)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C16H13N5O/c1-21(9-11-8-17-6-7-18-11)16-15-14(19-10-20-16)12-4-2-3-5-13(12)22-15/h2-8,10H,9H2,1H3
InChIKeyQIVRPYGUOBOHOM-UHFFFAOYSA-N
XLogP2.80
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 56777633
N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133376566
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 32682406
N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 138043909
N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide
CID 133303979
N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 55346583
N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133302138
2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide
CID 133272030
3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 71991144
4-(pyridin-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 17422663
N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 8005233
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 24607845

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 133307707) is N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is CN(Cc1cnccn1)c1ncnc2c1oc1ccccc12.
What is the InChIKey of N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is QIVRPYGUOBOHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-21(9-11-8-17-6-7-18-11)16-15-14(19-10-20-16)12-4-2-3-5-13(12)22-15/h2-8,10H,9H2,1H3.
What are the key properties of N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 291.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133307707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).