2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C16H17N3O — CID 178002712

IUPAC2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(N2CCC[C@H]2C)c2oc3ccccc3c2n1
InChIInChI=1S/C16H17N3O/c1-10-6-5-9-19(10)16-15-14(17-11(2)18-16)12-7-3-4-8-13(12)20-15/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1
InChIKeyZCLTZFJDFWEURS-SNVBAGLBSA-N
MW267.33 g/mol
LogP3.67
Rot. Bonds1

About 2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 178002712) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID178002712
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(N2CCC[C@H]2C)c2oc3ccccc3c2n1
InChIInChI=1S/C16H17N3O/c1-10-6-5-9-19(10)16-15-14(17-11(2)18-16)12-7-3-4-8-13(12)20-15/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1
InChIKeyZCLTZFJDFWEURS-SNVBAGLBSA-N
XLogP3.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 178002712) is 2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is Cc1nc(N2CCC[C@H]2C)c2oc3ccccc3c2n1.
What is the InChIKey of 2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ZCLTZFJDFWEURS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-6-5-9-19(10)16-15-14(17-11(2)18-16)12-7-3-4-8-13(12)20-15/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 267.33 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 178002712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).