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

C17H17N5O — CID 133376566

IUPACN-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCN(CCCn1ccnc1)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H17N5O/c1-21(8-4-9-22-10-7-18-12-22)17-16-15(19-11-20-17)13-5-2-3-6-14(13)23-16/h2-3,5-7,10-12H,4,8-9H2,1H3
InChIKeyXLTKRVJSKYMZQV-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.10
Rot. Bonds5

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

N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 133376566) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID133376566
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCN(CCCn1ccnc1)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H17N5O/c1-21(8-4-9-22-10-7-18-12-22)17-16-15(19-11-20-17)13-5-2-3-6-14(13)23-16/h2-3,5-7,10-12H,4,8-9H2,1H3
InChIKeyXLTKRVJSKYMZQV-UHFFFAOYSA-N
XLogP3.10
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 133376566) is N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CN(CCCn1ccnc1)c1ncnc2c1oc1ccccc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is XLTKRVJSKYMZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-21(8-4-9-22-10-7-18-12-22)17-16-15(19-11-20-17)13-5-2-3-6-14(13)23-16/h2-3,5-7,10-12H,4,8-9H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 307.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133376566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).