N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide

C19H21N3O3 — CID 6539738

IUPACN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide
SMILESCCCCCC(=O)Nc1ncnc2oc(-c3ccc(OC)cc3)cc12
InChIInChI=1S/C19H21N3O3/c1-3-4-5-6-17(23)22-18-15-11-16(25-19(15)21-12-20-18)13-7-9-14(24-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,20,21,22,23)
InChIKeyZYZXVKYLMUKBGC-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.42
Rot. Bonds7

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

N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide (PubChem CID 6539738) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide
PubChem CID6539738
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide
SMILESCCCCCC(=O)Nc1ncnc2oc(-c3ccc(OC)cc3)cc12
InChIInChI=1S/C19H21N3O3/c1-3-4-5-6-17(23)22-18-15-11-16(25-19(15)21-12-20-18)13-7-9-14(24-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,20,21,22,23)
InChIKeyZYZXVKYLMUKBGC-UHFFFAOYSA-N
XLogP4.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.42
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-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide?
The IUPAC name of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide (CID 6539738) is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide.
What is the SMILES notation for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide?
The canonical SMILES for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide is CCCCCC(=O)Nc1ncnc2oc(-c3ccc(OC)cc3)cc12.
What is the InChIKey of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide?
The InChIKey is ZYZXVKYLMUKBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-4-5-6-17(23)22-18-15-11-16(25-19(15)21-12-20-18)13-7-9-14(24-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,20,21,22,23).
What are the key properties of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide?
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide has a molecular weight of 339.40 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide is sourced from PubChem (CID 6539738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).