2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C23H25N3O3S — CID 30766638

IUPAC2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C
InChIInChI=1S/C23H25N3O3S/c1-4-26(12-15-5-8-17-18(11-15)29-10-9-28-17)23(27)20-13(2)19-14(3)24-21(16-6-7-16)25-22(19)30-20/h5,8,11,16H,4,6-7,9-10,12H2,1-3H3
InChIKeyDSMYPBNALPBCNQ-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.62
Rot. Bonds5

About 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 30766638) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID30766638
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C
InChIInChI=1S/C23H25N3O3S/c1-4-26(12-15-5-8-17-18(11-15)29-10-9-28-17)23(27)20-13(2)19-14(3)24-21(16-6-7-16)25-22(19)30-20/h5,8,11,16H,4,6-7,9-10,12H2,1-3H3
InChIKeyDSMYPBNALPBCNQ-UHFFFAOYSA-N
XLogP4.62
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24662376
N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33335434
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylthiophene-2-carboxamide
CID 30480240
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55650103
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33394339
N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55414327
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706606
N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32896241
4-[5-chloro-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-6-methylthieno[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid
CID 23289453
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24683186

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 30766638) is 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C.
What is the InChIKey of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DSMYPBNALPBCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-4-26(12-15-5-8-17-18(11-15)29-10-9-28-17)23(27)20-13(2)19-14(3)24-21(16-6-7-16)25-22(19)30-20/h5,8,11,16H,4,6-7,9-10,12H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 30766638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).