2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine

C17H17F2N3S — CID 10830480

IUPAC2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCc2c(F)cccc2F)c2sccc2n1
InChIInChI=1S/C17H17F2N3S/c1-2-3-7-15-21-14-8-9-23-16(14)17(22-15)20-10-11-12(18)5-4-6-13(11)19/h4-6,8-9H,2-3,7,10H2,1H3,(H,20,21,22)
InChIKeyZPYJMIFPLVFJMR-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.92
Rot. Bonds6

About 2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine

2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 10830480) has the molecular formula C17H17F2N3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID10830480
Molecular FormulaC17H17F2N3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCc2c(F)cccc2F)c2sccc2n1
InChIInChI=1S/C17H17F2N3S/c1-2-3-7-15-21-14-8-9-23-16(14)17(22-15)20-10-11-12(18)5-4-6-13(11)19/h4-6,8-9H,2-3,7,10H2,1H3,(H,20,21,22)
InChIKeyZPYJMIFPLVFJMR-UHFFFAOYSA-N
XLogP4.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 10830480) is 2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine is CCCCc1nc(NCc2c(F)cccc2F)c2sccc2n1.
What is the InChIKey of 2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ZPYJMIFPLVFJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3S/c1-2-3-7-15-21-14-8-9-23-16(14)17(22-15)20-10-11-12(18)5-4-6-13(11)19/h4-6,8-9H,2-3,7,10H2,1H3,(H,20,21,22).
What are the key properties of 2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 333.41 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10830480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).