4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane

C18H17Cl2F3N4O2S2Si — CID 159176948

IUPAC4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane
SMILESC[SiH](C)C.O=Cc1cc2ncnc(Cl)c2s1.OC(c1cc2ncnc(Cl)c2s1)C(F)(F)F
InChIInChI=1S/C8H4ClF3N2OS.C7H3ClN2OS.C3H10Si/c9-7-5-3(13-2-14-7)1-4(16-5)6(15)8(10,11)12;8-7-6-5(9-3-10-7)1-4(2-11)12-6;1-4(2)3/h1-2,6,15H;1-3H;4H,1-3H3
InChIKeyKMKAKLHHUPISBA-UHFFFAOYSA-N
MW541.48 g/mol
LogP6.20
Rot. Bonds2

About 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane

4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane (PubChem CID 159176948) has the molecular formula C18H17Cl2F3N4O2S2Si and a molecular weight of 541.48 g/mol. Its IUPAC name is 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane.

Molecular Properties

Compound Name4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane
PubChem CID159176948
Molecular FormulaC18H17Cl2F3N4O2S2Si
Molecular Weight541.48 g/mol
Exact Mass539.99
IUPAC Name4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane
SMILESC[SiH](C)C.O=Cc1cc2ncnc(Cl)c2s1.OC(c1cc2ncnc(Cl)c2s1)C(F)(F)F
InChIInChI=1S/C8H4ClF3N2OS.C7H3ClN2OS.C3H10Si/c9-7-5-3(13-2-14-7)1-4(16-5)6(15)8(10,11)12;8-7-6-5(9-3-10-7)1-4(2-11)12-6;1-4(2)3/h1-2,6,15H;1-3H;4H,1-3H3
InChIKeyKMKAKLHHUPISBA-UHFFFAOYSA-N
XLogP6.20
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.48
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-Chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane
CID 161421297
4-Chlorothieno[3,2-d]pyrimidine;4-chlorothieno[3,2-d]pyrimidine-6-carboxylic acid
CID 161260250

Frequently Asked Questions

What is the IUPAC name of 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane?
The IUPAC name of 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane (CID 159176948) is 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane.
What is the SMILES notation for 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane?
The canonical SMILES for 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane is C[SiH](C)C.O=Cc1cc2ncnc(Cl)c2s1.OC(c1cc2ncnc(Cl)c2s1)C(F)(F)F.
What is the InChIKey of 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane?
The InChIKey is KMKAKLHHUPISBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2OS.C7H3ClN2OS.C3H10Si/c9-7-5-3(13-2-14-7)1-4(16-5)6(15)8(10,11)12;8-7-6-5(9-3-10-7)1-4(2-11)12-6;1-4(2)3/h1-2,6,15H;1-3H;4H,1-3H3.
What are the key properties of 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane?
4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane has a molecular weight of 541.48 g/mol, XLogP of 6.20, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothieno[3,2-d]pyrimidine-6-carbaldehyde;1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;trimethylsilane is sourced from PubChem (CID 159176948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).