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

C24H25FN4O2S — CID 58117685

IUPACN-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(C2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)cc1
InChIInChI=1S/C24H25FN4O2S/c1-31-20-7-5-16(6-8-20)17-9-12-29(13-10-17)24-27-21-11-14-32(30)22(21)23(28-24)26-19-4-2-3-18(25)15-19/h2-8,15,17H,9-14H2,1H3,(H,26,27,28)
InChIKeyRPIYJGKQUVECKE-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.42
Rot. Bonds5

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

N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 58117685) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID58117685
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC NameN-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(C2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)cc1
InChIInChI=1S/C24H25FN4O2S/c1-31-20-7-5-16(6-8-20)17-9-12-29(13-10-17)24-27-21-11-14-32(30)22(21)23(28-24)26-19-4-2-3-18(25)15-19/h2-8,15,17H,9-14H2,1H3,(H,26,27,28)
InChIKeyRPIYJGKQUVECKE-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
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-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 58117685) is N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)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-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is COc1ccc(C2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is RPIYJGKQUVECKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c1-31-20-7-5-16(6-8-20)17-9-12-29(13-10-17)24-27-21-11-14-32(30)22(21)23(28-24)26-19-4-2-3-18(25)15-19/h2-8,15,17H,9-14H2,1H3,(H,26,27,28).
What are the key properties of N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)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 4.42, 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-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58117685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).