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

C16H12ClN3O2 — CID 6539750

IUPACN-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncnc2oc(-c3ccc(Cl)cc3)cc12)C1CC1
InChIInChI=1S/C16H12ClN3O2/c17-11-5-3-9(4-6-11)13-7-12-14(18-8-19-16(12)22-13)20-15(21)10-1-2-10/h3-8,10H,1-2H2,(H,18,19,20,21)
InChIKeyNVQMLFXNGDWRJW-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.89
Rot. Bonds3

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

N-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 6539750) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID6539750
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncnc2oc(-c3ccc(Cl)cc3)cc12)C1CC1
InChIInChI=1S/C16H12ClN3O2/c17-11-5-3-9(4-6-11)13-7-12-14(18-8-19-16(12)22-13)20-15(21)10-1-2-10/h3-8,10H,1-2H2,(H,18,19,20,21)
InChIKeyNVQMLFXNGDWRJW-UHFFFAOYSA-N
XLogP3.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide (CID 6539750) is N-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide is O=C(Nc1ncnc2oc(-c3ccc(Cl)cc3)cc12)C1CC1.
What is the InChIKey of N-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is NVQMLFXNGDWRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-11-5-3-9(4-6-11)13-7-12-14(18-8-19-16(12)22-13)20-15(21)10-1-2-10/h3-8,10H,1-2H2,(H,18,19,20,21).
What are the key properties of N-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 313.74 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 6539750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).