6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine

C24H32N2O3 — CID 5273890

IUPAC6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine
SMILESCCCCCCCCCCc1cc2cnc(OCc3ccc(OC)cc3)nc2o1
InChIInChI=1S/C24H32N2O3/c1-3-4-5-6-7-8-9-10-11-22-16-20-17-25-24(26-23(20)29-22)28-18-19-12-14-21(27-2)15-13-19/h12-17H,3-11,18H2,1-2H3
InChIKeyPCLAAGQFLGCQOK-UHFFFAOYSA-N
MW396.53 g/mol
LogP6.49
Rot. Bonds13

About 6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine

6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine (PubChem CID 5273890) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine
PubChem CID5273890
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine
SMILESCCCCCCCCCCc1cc2cnc(OCc3ccc(OC)cc3)nc2o1
InChIInChI=1S/C24H32N2O3/c1-3-4-5-6-7-8-9-10-11-22-16-20-17-25-24(26-23(20)29-22)28-18-19-12-14-21(27-2)15-13-19/h12-17H,3-11,18H2,1-2H3
InChIKeyPCLAAGQFLGCQOK-UHFFFAOYSA-N
XLogP6.49
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 56.49
H-Bond Donors ≤ 50
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 6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine?
The IUPAC name of 6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine (CID 5273890) is 6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine.
What is the SMILES notation for 6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine?
The canonical SMILES for 6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine is CCCCCCCCCCc1cc2cnc(OCc3ccc(OC)cc3)nc2o1.
What is the InChIKey of 6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine?
The InChIKey is PCLAAGQFLGCQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-4-5-6-7-8-9-10-11-22-16-20-17-25-24(26-23(20)29-22)28-18-19-12-14-21(27-2)15-13-19/h12-17H,3-11,18H2,1-2H3.
What are the key properties of 6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine?
6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine has a molecular weight of 396.53 g/mol, XLogP of 6.49, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine is sourced from PubChem (CID 5273890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).