N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine

C26H37FN4O3 — CID 68782738

IUPACN-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3ncc4c(n3)C(C)(C)OC4(C)C)CC2)cc(OCC)c1F
InChIInChI=1S/C26H37FN4O3/c1-7-32-20-13-17(14-21(22(20)27)33-8-2)16-31-11-9-18(10-12-31)29-24-28-15-19-23(30-24)26(5,6)34-25(19,3)4/h13-15,18H,7-12,16H2,1-6H3,(H,28,29,30)
InChIKeyVRSIBDKOKDWLCG-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.99
Rot. Bonds8

About N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine

N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine (PubChem CID 68782738) has the molecular formula C26H37FN4O3 and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
PubChem CID68782738
Molecular FormulaC26H37FN4O3
Molecular Weight472.61 g/mol
Exact Mass472.28
IUPAC NameN-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3ncc4c(n3)C(C)(C)OC4(C)C)CC2)cc(OCC)c1F
InChIInChI=1S/C26H37FN4O3/c1-7-32-20-13-17(14-21(22(20)27)33-8-2)16-31-11-9-18(10-12-31)29-24-28-15-19-23(30-24)26(5,6)34-25(19,3)4/h13-15,18H,7-12,16H2,1-6H3,(H,28,29,30)
InChIKeyVRSIBDKOKDWLCG-UHFFFAOYSA-N
XLogP4.99
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine (CID 68782738) is N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine is CCOc1cc(CN2CCC(Nc3ncc4c(n3)C(C)(C)OC4(C)C)CC2)cc(OCC)c1F.
What is the InChIKey of N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
The InChIKey is VRSIBDKOKDWLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN4O3/c1-7-32-20-13-17(14-21(22(20)27)33-8-2)16-31-11-9-18(10-12-31)29-24-28-15-19-23(30-24)26(5,6)34-25(19,3)4/h13-15,18H,7-12,16H2,1-6H3,(H,28,29,30).
What are the key properties of N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine has a molecular weight of 472.61 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 68782738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).