7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C18H15F2N5OS — CID 126495661

IUPAC7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1OC(F)F
InChIInChI=1S/C18H15F2N5OS/c1-10-15(12-5-3-4-6-13(12)26-17(19)20)16-14(27-10)8-21-18(24-16)23-11-7-22-25(2)9-11/h3-9,17H,1-2H3,(H,21,23,24)
InChIKeyJPTFBRPMDYAAHW-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.75
Rot. Bonds5

About 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495661) has the molecular formula C18H15F2N5OS and a molecular weight of 387.42 g/mol. Its IUPAC name is 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495661
Molecular FormulaC18H15F2N5OS
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1OC(F)F
InChIInChI=1S/C18H15F2N5OS/c1-10-15(12-5-3-4-6-13(12)26-17(19)20)16-14(27-10)8-21-18(24-16)23-11-7-22-25(2)9-11/h3-9,17H,1-2H3,(H,21,23,24)
InChIKeyJPTFBRPMDYAAHW-UHFFFAOYSA-N
XLogP4.75
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 126495661) is 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1OC(F)F.
What is the InChIKey of 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is JPTFBRPMDYAAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5OS/c1-10-15(12-5-3-4-6-13(12)26-17(19)20)16-14(27-10)8-21-18(24-16)23-11-7-22-25(2)9-11/h3-9,17H,1-2H3,(H,21,23,24).
What are the key properties of 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 387.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).