N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C23H25N3O2S — CID 33335434

IUPACN,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CN(C(=O)c2sc3nc(C4CC4)nc(C)c3c2C)C2CC2)cc1
InChIInChI=1S/C23H25N3O2S/c1-13-19-14(2)24-21(16-6-7-16)25-22(19)29-20(13)23(27)26(17-8-9-17)12-15-4-10-18(28-3)11-5-15/h4-5,10-11,16-17H,6-9,12H2,1-3H3
InChIKeyBEQGWUOXGGOPJR-UHFFFAOYSA-N
MW407.54 g/mol
LogP5.00
Rot. Bonds6

About N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 33335434) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID33335434
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CN(C(=O)c2sc3nc(C4CC4)nc(C)c3c2C)C2CC2)cc1
InChIInChI=1S/C23H25N3O2S/c1-13-19-14(2)24-21(16-6-7-16)25-22(19)29-20(13)23(27)26(17-8-9-17)12-15-4-10-18(28-3)11-5-15/h4-5,10-11,16-17H,6-9,12H2,1-3H3
InChIKeyBEQGWUOXGGOPJR-UHFFFAOYSA-N
XLogP5.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-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
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30766638
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
2-cyclopropyl-4,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55901633
N-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32896241
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811217
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24683186
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706606
N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 33036210
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991055

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 33335434) is N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(CN(C(=O)c2sc3nc(C4CC4)nc(C)c3c2C)C2CC2)cc1.
What is the InChIKey of N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BEQGWUOXGGOPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-13-19-14(2)24-21(16-6-7-16)25-22(19)29-20(13)23(27)26(17-8-9-17)12-15-4-10-18(28-3)11-5-15/h4-5,10-11,16-17H,6-9,12H2,1-3H3.
What are the key properties of N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 33335434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).