N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C18H18ClN3O2S — CID 33282949

IUPACN-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)NCCOc3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C18H18ClN3O2S/c1-10-15-11(2)21-12(3)22-18(15)25-16(10)17(23)20-8-9-24-14-6-4-13(19)5-7-14/h4-7H,8-9H2,1-3H3,(H,20,23)
InChIKeyALEXDJPJAISCIU-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.08
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 33282949) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID33282949
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)NCCOc3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C18H18ClN3O2S/c1-10-15-11(2)21-12(3)22-18(15)25-16(10)17(23)20-8-9-24-14-6-4-13(19)5-7-14/h4-7H,8-9H2,1-3H3,(H,20,23)
InChIKeyALEXDJPJAISCIU-UHFFFAOYSA-N
XLogP4.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 27163729
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43056996
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43057186
(4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 55522061
N-[3-[4-(dimethylamino)phenyl]propyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 37271657
N-(2-benzylsulfanylethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43044020
2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 47154179
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
N-[2-(4-chlorophenoxy)ethyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 57210461
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 33282949) is N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)NCCOc3ccc(Cl)cc3)sc2n1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ALEXDJPJAISCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-10-15-11(2)21-12(3)22-18(15)25-16(10)17(23)20-8-9-24-14-6-4-13(19)5-7-14/h4-7H,8-9H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 33282949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).