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

C18H18ClFN4S — CID 11660822

IUPAC6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1cccc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)c1
InChIInChI=1S/C18H18ClFN4S/c19-16-9-15-17(21-11-22-18(15)25-16)23-14-4-6-24(7-5-14)10-12-2-1-3-13(20)8-12/h1-3,8-9,11,14H,4-7,10H2,(H,21,22,23)
InChIKeyJESWAFKMDIXVCA-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.56
Rot. Bonds4

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

6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 11660822) has the molecular formula C18H18ClFN4S and a molecular weight of 376.89 g/mol. Its IUPAC name is 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID11660822
Molecular FormulaC18H18ClFN4S
Molecular Weight376.89 g/mol
Exact Mass376.09
IUPAC Name6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1cccc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)c1
InChIInChI=1S/C18H18ClFN4S/c19-16-9-15-17(21-11-22-18(15)25-16)23-14-4-6-24(7-5-14)10-12-2-1-3-13(20)8-12/h1-3,8-9,11,14H,4-7,10H2,(H,21,22,23)
InChIKeyJESWAFKMDIXVCA-UHFFFAOYSA-N
XLogP4.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.56
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]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 11660822) is 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is Fc1cccc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)c1.
What is the InChIKey of 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JESWAFKMDIXVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4S/c19-16-9-15-17(21-11-22-18(15)25-16)23-14-4-6-24(7-5-14)10-12-2-1-3-13(20)8-12/h1-3,8-9,11,14H,4-7,10H2,(H,21,22,23).
What are the key properties of 6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
6-chloro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 376.89 g/mol, XLogP of 4.56, 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]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11660822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).