2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C20H21N3OS — CID 33284197

IUPAC2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)NCC3(c4ccccc4)CC3)sc2n1
InChIInChI=1S/C20H21N3OS/c1-12-16-13(2)22-14(3)23-19(16)25-17(12)18(24)21-11-20(9-10-20)15-7-5-4-6-8-15/h4-8H,9-11H2,1-3H3,(H,21,24)
InChIKeyORUONLLMRCAGDT-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.08
Rot. Bonds4

About 2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 33284197) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID33284197
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)NCC3(c4ccccc4)CC3)sc2n1
InChIInChI=1S/C20H21N3OS/c1-12-16-13(2)22-14(3)23-19(16)25-17(12)18(24)21-11-20(9-10-20)15-7-5-4-6-8-15/h4-8H,9-11H2,1-3H3,(H,21,24)
InChIKeyORUONLLMRCAGDT-UHFFFAOYSA-N
XLogP4.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-oxo-N-[(1-phenylcyclobutyl)methyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 24614572
N-(2-benzylsulfanylethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43044020
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435
N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56501540
N-[[2-(difluoromethoxy)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43057254
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56552121
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46578103
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46564228
2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 46578396
N-[3-[4-(dimethylamino)phenyl]propyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 37271657
N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 75466636

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 33284197) is 2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)NCC3(c4ccccc4)CC3)sc2n1.
What is the InChIKey of 2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ORUONLLMRCAGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-12-16-13(2)22-14(3)23-19(16)25-17(12)18(24)21-11-20(9-10-20)15-7-5-4-6-8-15/h4-8H,9-11H2,1-3H3,(H,21,24).
What are the key properties of 2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 33284197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).