2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol

C20H18FN3O2S — CID 42889942

IUPAC2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol
SMILESOCC(CNc1ncnc2scc(-c3ccc(F)cc3)c12)Cc1ccco1
InChIInChI=1S/C20H18FN3O2S/c21-15-5-3-14(4-6-15)17-11-27-20-18(17)19(23-12-24-20)22-9-13(10-25)8-16-2-1-7-26-16/h1-7,11-13,25H,8-10H2,(H,22,23,24)
InChIKeyGBIUKHILTNXCDO-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.35
Rot. Bonds7

About 2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol

2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol (PubChem CID 42889942) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol
PubChem CID42889942
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol
SMILESOCC(CNc1ncnc2scc(-c3ccc(F)cc3)c12)Cc1ccco1
InChIInChI=1S/C20H18FN3O2S/c21-15-5-3-14(4-6-15)17-11-27-20-18(17)19(23-12-24-20)22-9-13(10-25)8-16-2-1-7-26-16/h1-7,11-13,25H,8-10H2,(H,22,23,24)
InChIKeyGBIUKHILTNXCDO-UHFFFAOYSA-N
XLogP4.35
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide
CID 2085084
(1S)-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(4-nitrophenyl)ethanol
CID 9280965
N-[2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 2527358
N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9025411
5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 42941769
N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 92725820
5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9211901
(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 9310899
methyl 4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
CID 9195748
2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 137335518
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28505127
N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 8982388

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol?
The IUPAC name of 2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol (CID 42889942) is 2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol.
What is the SMILES notation for 2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol?
The canonical SMILES for 2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol is OCC(CNc1ncnc2scc(-c3ccc(F)cc3)c12)Cc1ccco1.
What is the InChIKey of 2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol?
The InChIKey is GBIUKHILTNXCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c21-15-5-3-14(4-6-15)17-11-27-20-18(17)19(23-12-24-20)22-9-13(10-25)8-16-2-1-7-26-16/h1-7,11-13,25H,8-10H2,(H,22,23,24).
What are the key properties of 2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol?
2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol has a molecular weight of 383.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 42889942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).