2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C18H14F2N4O2S — CID 45274944

IUPAC2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccnc1Cc1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1
InChIInChI=1S/C18H14F2N4O2S/c1-25-12-3-2-6-22-11(12)8-9-7-10-16(21)23-17(24-18(10)27-9)14-5-4-13(26-14)15(19)20/h2-7,15H,8H2,1H3,(H2,21,23,24)
InChIKeyLSHMSHLZCORFBH-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.47
Rot. Bonds5

About 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274944) has the molecular formula C18H14F2N4O2S and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID45274944
Molecular FormulaC18H14F2N4O2S
Molecular Weight388.40 g/mol
Exact Mass388.08
IUPAC Name2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccnc1Cc1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1
InChIInChI=1S/C18H14F2N4O2S/c1-25-12-3-2-6-22-11(12)8-9-7-10-16(21)23-17(24-18(10)27-9)14-5-4-13(26-14)15(19)20/h2-7,15H,8H2,1H3,(H2,21,23,24)
InChIKeyLSHMSHLZCORFBH-UHFFFAOYSA-N
XLogP4.47
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 45274944) is 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1cccnc1Cc1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1.
What is the InChIKey of 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LSHMSHLZCORFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2S/c1-25-12-3-2-6-22-11(12)8-9-7-10-16(21)23-17(24-18(10)27-9)14-5-4-13(26-14)15(19)20/h2-7,15H,8H2,1H3,(H2,21,23,24).
What are the key properties of 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 388.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-methoxy-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).