6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine

C17H16BrN3O2 — CID 152503302

IUPAC6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(C2CCCO2)c2c(-c3ccccc3)c(Br)oc2n1
InChIInChI=1S/C17H16BrN3O2/c1-19-17-20-14(11-8-5-9-22-11)13-12(10-6-3-2-4-7-10)15(18)23-16(13)21-17/h2-4,6-7,11H,5,8-9H2,1H3,(H,19,20,21)
InChIKeyYDXXXKIAXZKZAI-UHFFFAOYSA-N
MW374.24 g/mol
LogP4.55
Rot. Bonds3

About 6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine

6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine (PubChem CID 152503302) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine
PubChem CID152503302
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(C2CCCO2)c2c(-c3ccccc3)c(Br)oc2n1
InChIInChI=1S/C17H16BrN3O2/c1-19-17-20-14(11-8-5-9-22-11)13-12(10-6-3-2-4-7-10)15(18)23-16(13)21-17/h2-4,6-7,11H,5,8-9H2,1H3,(H,19,20,21)
InChIKeyYDXXXKIAXZKZAI-UHFFFAOYSA-N
XLogP4.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine (CID 152503302) is 6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine is CNc1nc(C2CCCO2)c2c(-c3ccccc3)c(Br)oc2n1.
What is the InChIKey of 6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine?
The InChIKey is YDXXXKIAXZKZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-19-17-20-14(11-8-5-9-22-11)13-12(10-6-3-2-4-7-10)15(18)23-16(13)21-17/h2-4,6-7,11H,5,8-9H2,1H3,(H,19,20,21).
What are the key properties of 6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine?
6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine has a molecular weight of 374.24 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-4-(oxolan-2-yl)-5-phenylfuro[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 152503302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).