6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine

C19H20ClFN4S — CID 11502015

IUPAC6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(Cl)sc2ncnc(NC3CCN(Cc4cccc(F)c4)CC3)c12
InChIInChI=1S/C19H20ClFN4S/c1-12-16-18(22-11-23-19(16)26-17(12)20)24-15-5-7-25(8-6-15)10-13-3-2-4-14(21)9-13/h2-4,9,11,15H,5-8,10H2,1H3,(H,22,23,24)
InChIKeyRCJRCZXXTFRBIZ-UHFFFAOYSA-N
MW390.92 g/mol
LogP4.87
Rot. Bonds4

About 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine

6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 11502015) has the molecular formula C19H20ClFN4S and a molecular weight of 390.92 g/mol. Its IUPAC name is 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID11502015
Molecular FormulaC19H20ClFN4S
Molecular Weight390.92 g/mol
Exact Mass390.11
IUPAC Name6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(Cl)sc2ncnc(NC3CCN(Cc4cccc(F)c4)CC3)c12
InChIInChI=1S/C19H20ClFN4S/c1-12-16-18(22-11-23-19(16)26-17(12)20)24-15-5-7-25(8-6-15)10-13-3-2-4-14(21)9-13/h2-4,9,11,15H,5-8,10H2,1H3,(H,22,23,24)
InChIKeyRCJRCZXXTFRBIZ-UHFFFAOYSA-N
XLogP4.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 11502015) is 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine is Cc1c(Cl)sc2ncnc(NC3CCN(Cc4cccc(F)c4)CC3)c12.
What is the InChIKey of 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RCJRCZXXTFRBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4S/c1-12-16-18(22-11-23-19(16)26-17(12)20)24-15-5-7-25(8-6-15)10-13-3-2-4-14(21)9-13/h2-4,9,11,15H,5-8,10H2,1H3,(H,22,23,24).
What are the key properties of 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 390.92 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11502015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).