N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

C19H20N4O3S — CID 24674773

IUPACN,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)N(C)C(C)c3cccc([N+](=O)[O-])c3)sc2n1
InChIInChI=1S/C19H20N4O3S/c1-10-16-11(2)20-13(4)21-18(16)27-17(10)19(24)22(5)12(3)14-7-6-8-15(9-14)23(25)26/h6-9,12H,1-5H3
InChIKeyWTLWMFNHSXUGKI-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.36
Rot. Bonds4

About N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24674773) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24674773
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)N(C)C(C)c3cccc([N+](=O)[O-])c3)sc2n1
InChIInChI=1S/C19H20N4O3S/c1-10-16-11(2)20-13(4)21-18(16)27-17(10)19(24)22(5)12(3)14-7-6-8-15(9-14)23(25)26/h6-9,12H,1-5H3
InChIKeyWTLWMFNHSXUGKI-UHFFFAOYSA-N
XLogP4.36
TPSA89.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
CID 51222342
3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408224
2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18086811
3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide
CID 55408434
N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55773278
N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-phenyltriazole-4-carboxamide
CID 46546081
2-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 115588142
N-[1-(3-benzamidophenyl)ethyl]-N-methyl-3-nitrobenzamide
CID 46533511
6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide
CID 33115374
N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-phenylsulfanylpropanamide
CID 46449768
N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 24674767
2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 103029241

Frequently Asked Questions

What is the IUPAC name of N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 24674773) is N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)N(C)C(C)c3cccc([N+](=O)[O-])c3)sc2n1.
What is the InChIKey of N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WTLWMFNHSXUGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-10-16-11(2)20-13(4)21-18(16)27-17(10)19(24)22(5)12(3)14-7-6-8-15(9-14)23(25)26/h6-9,12H,1-5H3.
What are the key properties of N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24674773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).