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

C17H14N4O — CID 2063127

IUPAC2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccccn2)c2oc3ccccc3c2n1
InChIInChI=1S/C17H14N4O/c1-11-20-15-13-7-2-3-8-14(13)22-16(15)17(21-11)19-10-12-6-4-5-9-18-12/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyIZZPKSYHFCHECI-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.69
Rot. Bonds3

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

2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 2063127) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID2063127
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccccn2)c2oc3ccccc3c2n1
InChIInChI=1S/C17H14N4O/c1-11-20-15-13-7-2-3-8-14(13)22-16(15)17(21-11)19-10-12-6-4-5-9-18-12/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyIZZPKSYHFCHECI-UHFFFAOYSA-N
XLogP3.69
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6603427
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine chloride
CID 53312605
N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3980878
N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546749
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546765
(2R)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 943812
6-ethyl-2-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 6458164
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 5177568
N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1394504
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 2063127) is 2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1nc(NCc2ccccn2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is IZZPKSYHFCHECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11-20-15-13-7-2-3-8-14(13)22-16(15)17(21-11)19-10-12-6-4-5-9-18-12/h2-9H,10H2,1H3,(H,19,20,21).
What are the key properties of 2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 290.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 2063127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).