6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine

C27H31FN4O2 — CID 11648325

IUPAC6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)CCOc1ccc(-c2oc3ncnc(NC(C)C)c3c2-c2ccccc2)cc1F
InChIInChI=1S/C27H31FN4O2/c1-5-32(6-2)14-15-33-22-13-12-20(16-21(22)28)25-23(19-10-8-7-9-11-19)24-26(31-18(3)4)29-17-30-27(24)34-25/h7-13,16-18H,5-6,14-15H2,1-4H3,(H,29,30,31)
InChIKeyCKICOBOTESTQPH-UHFFFAOYSA-N
MW462.57 g/mol
LogP6.24
Rot. Bonds10

About 6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine

6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine (PubChem CID 11648325) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is 6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine
PubChem CID11648325
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC Name6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)CCOc1ccc(-c2oc3ncnc(NC(C)C)c3c2-c2ccccc2)cc1F
InChIInChI=1S/C27H31FN4O2/c1-5-32(6-2)14-15-33-22-13-12-20(16-21(22)28)25-23(19-10-8-7-9-11-19)24-26(31-18(3)4)29-17-30-27(24)34-25/h7-13,16-18H,5-6,14-15H2,1-4H3,(H,29,30,31)
InChIKeyCKICOBOTESTQPH-UHFFFAOYSA-N
XLogP6.24
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine (CID 11648325) is 6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine is CCN(CC)CCOc1ccc(-c2oc3ncnc(NC(C)C)c3c2-c2ccccc2)cc1F.
What is the InChIKey of 6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine?
The InChIKey is CKICOBOTESTQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c1-5-32(6-2)14-15-33-22-13-12-20(16-21(22)28)25-23(19-10-8-7-9-11-19)24-26(31-18(3)4)29-17-30-27(24)34-25/h7-13,16-18H,5-6,14-15H2,1-4H3,(H,29,30,31).
What are the key properties of 6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine?
6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine has a molecular weight of 462.57 g/mol, XLogP of 6.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11648325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).