N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C20H20ClN3OS — CID 30706606

IUPACN-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NCCc3cccc(Cl)c3)c(C)c12
InChIInChI=1S/C20H20ClN3OS/c1-11-16-12(2)23-18(14-6-7-14)24-20(16)26-17(11)19(25)22-9-8-13-4-3-5-15(21)10-13/h3-5,10,14H,6-9H2,1-2H3,(H,22,25)
InChIKeyFOBILJIJNKNZPV-UHFFFAOYSA-N
MW385.92 g/mol
LogP4.81
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 30706606) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID30706606
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NCCc3cccc(Cl)c3)c(C)c12
InChIInChI=1S/C20H20ClN3OS/c1-11-16-12(2)23-18(14-6-7-14)24-20(16)26-17(11)19(25)22-9-8-13-4-3-5-15(21)10-13/h3-5,10,14H,6-9H2,1-2H3,(H,22,25)
InChIKeyFOBILJIJNKNZPV-UHFFFAOYSA-N
XLogP4.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706996
N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24662376
N-(3-chloro-4-methylphenyl)-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539056
2-cyclopropyl-4,5-dimethyl-N-[3-(1-phenylethoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46550056
2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46475896
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 47061769
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24683186
N-[2-(3-chlorophenyl)ethyl]-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26345206
N-[2-(3-chlorophenyl)ethyl]-5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26345201
2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24665431

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 30706606) is N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C2CC2)nc2sc(C(=O)NCCc3cccc(Cl)c3)c(C)c12.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FOBILJIJNKNZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-11-16-12(2)23-18(14-6-7-14)24-20(16)26-17(11)19(25)22-9-8-13-4-3-5-15(21)10-13/h3-5,10,14H,6-9H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 385.92 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 30706606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).