N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide

C16H13N3O2 — CID 6539749

IUPACN-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncnc2oc(-c3ccccc3)cc12)C1CC1
InChIInChI=1S/C16H13N3O2/c20-15(11-6-7-11)19-14-12-8-13(10-4-2-1-3-5-10)21-16(12)18-9-17-14/h1-5,8-9,11H,6-7H2,(H,17,18,19,20)
InChIKeyIFNFYBNUPMANII-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.24
Rot. Bonds3

About N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide

N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide (PubChem CID 6539749) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide
PubChem CID6539749
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncnc2oc(-c3ccccc3)cc12)C1CC1
InChIInChI=1S/C16H13N3O2/c20-15(11-6-7-11)19-14-12-8-13(10-4-2-1-3-5-10)21-16(12)18-9-17-14/h1-5,8-9,11H,6-7H2,(H,17,18,19,20)
InChIKeyIFNFYBNUPMANII-UHFFFAOYSA-N
XLogP3.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide (CID 6539749) is N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide is O=C(Nc1ncnc2oc(-c3ccccc3)cc12)C1CC1.
What is the InChIKey of N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide?
The InChIKey is IFNFYBNUPMANII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15(11-6-7-11)19-14-12-8-13(10-4-2-1-3-5-10)21-16(12)18-9-17-14/h1-5,8-9,11H,6-7H2,(H,17,18,19,20).
What are the key properties of N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide?
N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylfuro[2,3-d]pyrimidin-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 6539749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).