methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate

C19H20N4O2S — CID 133460299

IUPACmethyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate
SMILESCCc1cc2c(NCc3ccc(C(=O)OC)c(C4CC4)n3)ncnc2s1
InChIInChI=1S/C19H20N4O2S/c1-3-13-8-15-17(21-10-22-18(15)26-13)20-9-12-6-7-14(19(24)25-2)16(23-12)11-4-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,21,22)
InChIKeyXXWQXZPMMWEIFF-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.92
Rot. Bonds6

About methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate

methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate (PubChem CID 133460299) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate
PubChem CID133460299
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Namemethyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate
SMILESCCc1cc2c(NCc3ccc(C(=O)OC)c(C4CC4)n3)ncnc2s1
InChIInChI=1S/C19H20N4O2S/c1-3-13-8-15-17(21-10-22-18(15)26-13)20-9-12-6-7-14(19(24)25-2)16(23-12)11-4-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,21,22)
InChIKeyXXWQXZPMMWEIFF-UHFFFAOYSA-N
XLogP3.92
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate
CID 133460115
methyl 6-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460264
methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460208
methyl 2-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
CID 133355475
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
N-cyclopentyl-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084937
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate
CID 133460116
methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate
CID 133460254
N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 106123831
methyl 6-[[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460205
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate (CID 133460299) is methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate is CCc1cc2c(NCc3ccc(C(=O)OC)c(C4CC4)n3)ncnc2s1.
What is the InChIKey of methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate?
The InChIKey is XXWQXZPMMWEIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-13-8-15-17(21-10-22-18(15)26-13)20-9-12-6-7-14(19(24)25-2)16(23-12)11-4-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,21,22).
What are the key properties of methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate?
methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 133460299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).