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

C16H13N3O2 — CID 664442

IUPACN-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccco2)c2oc3ccccc3c2n1
InChIInChI=1S/C16H13N3O2/c1-10-18-14-12-6-2-3-7-13(12)21-15(14)16(19-10)17-9-11-5-4-8-20-11/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyWNZRCEWKKLZFBQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.89
Rot. Bonds3

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

N-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 664442) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID664442
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccco2)c2oc3ccccc3c2n1
InChIInChI=1S/C16H13N3O2/c1-10-18-14-12-6-2-3-7-13(12)21-15(14)16(19-10)17-9-11-5-4-8-20-11/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyWNZRCEWKKLZFBQ-UHFFFAOYSA-N
XLogP3.89
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 664442) is N-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1nc(NCc2ccco2)c2oc3ccccc3c2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is WNZRCEWKKLZFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-18-14-12-6-2-3-7-13(12)21-15(14)16(19-10)17-9-11-5-4-8-20-11/h2-8H,9H2,1H3,(H,17,18,19).
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 279.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 664442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).