N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H14F2N4OS — CID 138044737

IUPACN-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3ccc(OC(F)F)cn3)c2c1C
InChIInChI=1S/C15H14F2N4OS/c1-8-9(2)23-14-12(8)13(20-7-21-14)19-5-10-3-4-11(6-18-10)22-15(16)17/h3-4,6-7,15H,5H2,1-2H3,(H,19,20,21)
InChIKeyUVMFJFUAXQDEDU-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.92
Rot. Bonds5

About N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 138044737) has the molecular formula C15H14F2N4OS and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID138044737
Molecular FormulaC15H14F2N4OS
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3ccc(OC(F)F)cn3)c2c1C
InChIInChI=1S/C15H14F2N4OS/c1-8-9(2)23-14-12(8)13(20-7-21-14)19-5-10-3-4-11(6-18-10)22-15(16)17/h3-4,6-7,15H,5H2,1-2H3,(H,19,20,21)
InChIKeyUVMFJFUAXQDEDU-UHFFFAOYSA-N
XLogP3.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 138044737) is N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCc3ccc(OC(F)F)cn3)c2c1C.
What is the InChIKey of N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UVMFJFUAXQDEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4OS/c1-8-9(2)23-14-12(8)13(20-7-21-14)19-5-10-3-4-11(6-18-10)22-15(16)17/h3-4,6-7,15H,5H2,1-2H3,(H,19,20,21).
What are the key properties of N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 336.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 138044737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).