N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C15H18N4O — CID 8005233

IUPACN-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1ncnc2c1oc1ccccc12
InChIInChI=1S/C15H18N4O/c1-19(2)9-5-8-16-15-14-13(17-10-18-15)11-6-3-4-7-12(11)20-14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyIFVNLFNQJPXKPC-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.74
Rot. Bonds5

About N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 8005233) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID8005233
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1ncnc2c1oc1ccccc12
InChIInChI=1S/C15H18N4O/c1-19(2)9-5-8-16-15-14-13(17-10-18-15)11-6-3-4-7-12(11)20-14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyIFVNLFNQJPXKPC-UHFFFAOYSA-N
XLogP2.74
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 8005233) is N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1ncnc2c1oc1ccccc12.
What is the InChIKey of N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is IFVNLFNQJPXKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(2)9-5-8-16-15-14-13(17-10-18-15)11-6-3-4-7-12(11)20-14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 8005233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).