propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate

C15H20ClN3O2S — CID 82066547

IUPACpropyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCCOC(=O)c1sc2nc(Cl)nc(NCC(C)C)c2c1C
InChIInChI=1S/C15H20ClN3O2S/c1-5-6-21-14(20)11-9(4)10-12(17-7-8(2)3)18-15(16)19-13(10)22-11/h8H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyCDOLCYKHBOTYCQ-UHFFFAOYSA-N
MW341.86 g/mol
LogP4.29
Rot. Bonds6

About propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate

propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 82066547) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID82066547
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Namepropyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCCOC(=O)c1sc2nc(Cl)nc(NCC(C)C)c2c1C
InChIInChI=1S/C15H20ClN3O2S/c1-5-6-21-14(20)11-9(4)10-12(17-7-8(2)3)18-15(16)19-13(10)22-11/h8H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyCDOLCYKHBOTYCQ-UHFFFAOYSA-N
XLogP4.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

propan-2-yl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 82066346
ethyl 2-chloro-4-(2-methoxyethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 82066698
2-methoxyethyl 4-(2-aminoethylamino)-2-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 82065587
ethyl 4-(tert-butylamino)-2-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 82066692
2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066592
ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4963425
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 9310923
propan-2-yl 5-methyl-4-(4-propoxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 20998724
octyl 5-methyl-2-(2-methylpropoxy)-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate
CID 21030804
ethyl 4-[[2-(tert-butylamino)-2-oxoethyl]amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 17393383
ethyl 2,5-dimethyl-4-(1-methylsulfanylpropan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 133311940
ethyl 4-[(2-ethoxy-2-oxoethyl)amino]-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 6615492

Frequently Asked Questions

What is the IUPAC name of propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate (CID 82066547) is propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate is CCCOC(=O)c1sc2nc(Cl)nc(NCC(C)C)c2c1C.
What is the InChIKey of propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is CDOLCYKHBOTYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-5-6-21-14(20)11-9(4)10-12(17-7-8(2)3)18-15(16)19-13(10)22-11/h8H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 341.86 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 82066547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).