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

C25H27FN4O2S — CID 143792226

IUPACN-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(C2CCN(c3nc4c(c(NCc5cccc(F)c5)n3)S(=O)CC4)CC2)cc1
InChIInChI=1S/C25H27FN4O2S/c1-32-21-7-5-18(6-8-21)19-9-12-30(13-10-19)25-28-22-11-14-33(31)23(22)24(29-25)27-16-17-3-2-4-20(26)15-17/h2-8,15,19H,9-14,16H2,1H3,(H,27,28,29)
InChIKeyDVJVIGWBMLYQFY-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.28
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 143792226) has the molecular formula C25H27FN4O2S and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID143792226
Molecular FormulaC25H27FN4O2S
Molecular Weight466.58 g/mol
Exact Mass466.18
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(C2CCN(c3nc4c(c(NCc5cccc(F)c5)n3)S(=O)CC4)CC2)cc1
InChIInChI=1S/C25H27FN4O2S/c1-32-21-7-5-18(6-8-21)19-9-12-30(13-10-19)25-28-22-11-14-33(31)23(22)24(29-25)27-16-17-3-2-4-20(26)15-17/h2-8,15,19H,9-14,16H2,1H3,(H,27,28,29)
InChIKeyDVJVIGWBMLYQFY-UHFFFAOYSA-N
XLogP4.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-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)methyl]-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 143792226) is N-[(3-fluorophenyl)methyl]-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)methyl]-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)methyl]-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is COc1ccc(C2CCN(c3nc4c(c(NCc5cccc(F)c5)n3)S(=O)CC4)CC2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DVJVIGWBMLYQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2S/c1-32-21-7-5-18(6-8-21)19-9-12-30(13-10-19)25-28-22-11-14-33(31)23(22)24(29-25)27-16-17-3-2-4-20(26)15-17/h2-8,15,19H,9-14,16H2,1H3,(H,27,28,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 466.58 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 143792226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).