1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol

C18H14F2N4O2S — CID 45274943

IUPAC1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol
SMILESCC(O)(c1ccccn1)c1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1
InChIInChI=1S/C18H14F2N4O2S/c1-18(25,12-4-2-3-7-22-12)13-8-9-15(21)23-16(24-17(9)27-13)11-6-5-10(26-11)14(19)20/h2-8,14,25H,1H3,(H2,21,23,24)
InChIKeyVDYRRNRVPPNRGD-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.12
Rot. Bonds4

About 1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol

1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol (PubChem CID 45274943) has the molecular formula C18H14F2N4O2S and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol
PubChem CID45274943
Molecular FormulaC18H14F2N4O2S
Molecular Weight388.40 g/mol
Exact Mass388.08
IUPAC Name1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol
SMILESCC(O)(c1ccccn1)c1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1
InChIInChI=1S/C18H14F2N4O2S/c1-18(25,12-4-2-3-7-22-12)13-8-9-15(21)23-16(24-17(9)27-13)11-6-5-10(26-11)14(19)20/h2-8,14,25H,1H3,(H2,21,23,24)
InChIKeyVDYRRNRVPPNRGD-UHFFFAOYSA-N
XLogP4.12
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol?
The IUPAC name of 1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol (CID 45274943) is 1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol.
What is the SMILES notation for 1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol?
The canonical SMILES for 1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol is CC(O)(c1ccccn1)c1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1.
What is the InChIKey of 1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol?
The InChIKey is VDYRRNRVPPNRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2S/c1-18(25,12-4-2-3-7-22-12)13-8-9-15(21)23-16(24-17(9)27-13)11-6-5-10(26-11)14(19)20/h2-8,14,25H,1H3,(H2,21,23,24).
What are the key properties of 1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol?
1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol has a molecular weight of 388.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol is sourced from PubChem (CID 45274943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).