2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide

C25H30N4O4S — CID 30706839

IUPAC2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)ccc1OCCC(C)C
InChIInChI=1S/C25H30N4O4S/c1-13(2)10-11-33-18-9-8-17(12-19(18)32-5)23(30)28-29-24(31)21-14(3)20-15(4)26-22(16-6-7-16)27-25(20)34-21/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyNXOHBFTYEULHHG-UHFFFAOYSA-N
MW482.61 g/mol
LogP4.69
Rot. Bonds8

About 2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide

2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide (PubChem CID 30706839) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
PubChem CID30706839
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)ccc1OCCC(C)C
InChIInChI=1S/C25H30N4O4S/c1-13(2)10-11-33-18-9-8-17(12-19(18)32-5)23(30)28-29-24(31)21-14(3)20-15(4)26-22(16-6-7-16)27-25(20)34-21/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyNXOHBFTYEULHHG-UHFFFAOYSA-N
XLogP4.69
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55819206
2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55536585
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-methylthiophene-2-carbohydrazide
CID 30882214
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
2-cyclopropyl-4,5-dimethyl-N-[3-(1-phenylethoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46550056
2-cyclopropyl-N-(2-methoxy-4-nitrophenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 39975723
N-butan-2-yl-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539061
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide
CID 43006948
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24672221
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24659917

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The IUPAC name of 2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide (CID 30706839) is 2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide.
What is the SMILES notation for 2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The canonical SMILES for 2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide is COc1cc(C(=O)NNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)ccc1OCCC(C)C.
What is the InChIKey of 2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The InChIKey is NXOHBFTYEULHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-13(2)10-11-33-18-9-8-17(12-19(18)32-5)23(30)28-29-24(31)21-14(3)20-15(4)26-22(16-6-7-16)27-25(20)34-21/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,28,30)(H,29,31).
What are the key properties of 2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide has a molecular weight of 482.61 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 30706839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).