N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C24H25FN4O2S — CID 58117659

IUPACN-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(OC2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)cc1
InChIInChI=1S/C24H25FN4O2S/c1-16-5-7-19(8-6-16)31-20-9-12-29(13-10-20)24-27-21-11-14-32(30)22(21)23(28-24)26-18-4-2-3-17(25)15-18/h2-8,15,20H,9-14H2,1H3,(H,26,27,28)
InChIKeyWYENUZYQRCZAJJ-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.38
Rot. Bonds5

About N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 58117659) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID58117659
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC NameN-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(OC2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)cc1
InChIInChI=1S/C24H25FN4O2S/c1-16-5-7-19(8-6-16)31-20-9-12-29(13-10-20)24-27-21-11-14-32(30)22(21)23(28-24)26-18-4-2-3-17(25)15-18/h2-8,15,20H,9-14H2,1H3,(H,26,27,28)
InChIKeyWYENUZYQRCZAJJ-UHFFFAOYSA-N
XLogP4.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 58117659) is N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Cc1ccc(OC2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WYENUZYQRCZAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c1-16-5-7-19(8-6-16)31-20-9-12-29(13-10-20)24-27-21-11-14-32(30)22(21)23(28-24)26-18-4-2-3-17(25)15-18/h2-8,15,20H,9-14H2,1H3,(H,26,27,28).
What are the key properties of N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 452.56 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58117659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).