methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C18H16F2N4O3S — CID 67382004

IUPACmethyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2ncnc(Nc3cccnc3OCC3CC3(F)F)c2c1C
InChIInChI=1S/C18H16F2N4O3S/c1-9-12-14(22-8-23-16(12)28-13(9)17(25)26-2)24-11-4-3-5-21-15(11)27-7-10-6-18(10,19)20/h3-5,8,10H,6-7H2,1-2H3,(H,22,23,24)
InChIKeyBMMVSQGTNQBFFP-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.96
Rot. Bonds6

About methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 67382004) has the molecular formula C18H16F2N4O3S and a molecular weight of 406.41 g/mol. Its IUPAC name is methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID67382004
Molecular FormulaC18H16F2N4O3S
Molecular Weight406.41 g/mol
Exact Mass406.09
IUPAC Namemethyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2ncnc(Nc3cccnc3OCC3CC3(F)F)c2c1C
InChIInChI=1S/C18H16F2N4O3S/c1-9-12-14(22-8-23-16(12)28-13(9)17(25)26-2)24-11-4-3-5-21-15(11)27-7-10-6-18(10,19)20/h3-5,8,10H,6-7H2,1-2H3,(H,22,23,24)
InChIKeyBMMVSQGTNQBFFP-UHFFFAOYSA-N
XLogP3.96
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate 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 methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 67382004) is methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2ncnc(Nc3cccnc3OCC3CC3(F)F)c2c1C.
What is the InChIKey of methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is BMMVSQGTNQBFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3S/c1-9-12-14(22-8-23-16(12)28-13(9)17(25)26-2)24-11-4-3-5-21-15(11)27-7-10-6-18(10,19)20/h3-5,8,10H,6-7H2,1-2H3,(H,22,23,24).
What are the key properties of methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 406.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 67382004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).