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

C18H17ClF2N4S — CID 11538464

IUPAC6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1cc(F)cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)c1
InChIInChI=1S/C18H17ClF2N4S/c19-16-8-15-17(22-10-23-18(15)26-16)24-14-1-3-25(4-2-14)9-11-5-12(20)7-13(21)6-11/h5-8,10,14H,1-4,9H2,(H,22,23,24)
InChIKeyVSIZFRXTPZNKEI-UHFFFAOYSA-N
MW394.88 g/mol
LogP4.70
Rot. Bonds4

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

6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 11538464) has the molecular formula C18H17ClF2N4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID11538464
Molecular FormulaC18H17ClF2N4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1cc(F)cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)c1
InChIInChI=1S/C18H17ClF2N4S/c19-16-8-15-17(22-10-23-18(15)26-16)24-14-1-3-25(4-2-14)9-11-5-12(20)7-13(21)6-11/h5-8,10,14H,1-4,9H2,(H,22,23,24)
InChIKeyVSIZFRXTPZNKEI-UHFFFAOYSA-N
XLogP4.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

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CID 1608673
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CID 2139597
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CID 124220687
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CID 90655161
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CID 2524595
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CID 2972450
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CID 2973574
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 11538464) is 6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is Fc1cc(F)cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)c1.
What is the InChIKey of 6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VSIZFRXTPZNKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4S/c19-16-8-15-17(22-10-23-18(15)26-16)24-14-1-3-25(4-2-14)9-11-5-12(20)7-13(21)6-11/h5-8,10,14H,1-4,9H2,(H,22,23,24).
What are the key properties of 6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 394.88 g/mol, XLogP of 4.70, 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-[(3,5-difluorophenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11538464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).