[4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol

C18H13ClF2N4O2S — CID 70901309

IUPAC[4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol
SMILESCC(F)(F)c1ccc(-c2nc(N)c3cc(C(O)c4ncccc4Cl)sc3n2)o1
InChIInChI=1S/C18H13ClF2N4O2S/c1-18(20,21)12-5-4-10(27-12)16-24-15(22)8-7-11(28-17(8)25-16)14(26)13-9(19)3-2-6-23-13/h2-7,14,26H,1H3,(H2,22,24,25)
InChIKeyJPDAGQQUMPRYKR-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.78
Rot. Bonds4

About [4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol

[4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol (PubChem CID 70901309) has the molecular formula C18H13ClF2N4O2S and a molecular weight of 422.84 g/mol. Its IUPAC name is [4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol.

Molecular Properties

Compound Name[4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol
PubChem CID70901309
Molecular FormulaC18H13ClF2N4O2S
Molecular Weight422.84 g/mol
Exact Mass422.04
IUPAC Name[4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol
SMILESCC(F)(F)c1ccc(-c2nc(N)c3cc(C(O)c4ncccc4Cl)sc3n2)o1
InChIInChI=1S/C18H13ClF2N4O2S/c1-18(20,21)12-5-4-10(27-12)16-24-15(22)8-7-11(28-17(8)25-16)14(26)13-9(19)3-2-6-23-13/h2-7,14,26H,1H3,(H2,22,24,25)
InChIKeyJPDAGQQUMPRYKR-UHFFFAOYSA-N
XLogP4.78
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol?
The IUPAC name of [4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol (CID 70901309) is [4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol.
What is the SMILES notation for [4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol?
The canonical SMILES for [4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol is CC(F)(F)c1ccc(-c2nc(N)c3cc(C(O)c4ncccc4Cl)sc3n2)o1.
What is the InChIKey of [4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol?
The InChIKey is JPDAGQQUMPRYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O2S/c1-18(20,21)12-5-4-10(27-12)16-24-15(22)8-7-11(28-17(8)25-16)14(26)13-9(19)3-2-6-23-13/h2-7,14,26H,1H3,(H2,22,24,25).
What are the key properties of [4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol?
[4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol has a molecular weight of 422.84 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[5-(1,1-difluoroethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-chloro-2-pyridinyl)methanol is sourced from PubChem (CID 70901309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).